SCHEMBL452233

SCHEMBL452233

CC(C)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.60
PTGS2 P35354 4/20 0.60
LMNA P02545 2/20 0.60
CYP2C9 P11712 2/20 0.60
AKR1C3 P42330 2/20 0.60
CXCR1 P25024 2/20 0.60
CXCR2 P25025 2/20 0.60
TSHR P16473 2/20 0.60
ALB P02768 1/20 0.60
ESR1 P03372 1/20 0.60
ALOX5 P09917 1/20 0.60
RARB P10826 1/20 0.60
ADRB3 P13945 1/20 0.60
NFKB1 P19838 1/20 0.60
HTR2A P28223 1/20 0.60
NR1I3 Q14994 1/20 0.60
SLC22A6 Q4U2R8 1/20 0.60
CXCL8 P10145 1/20 0.60
AKR1C2 P52895 1/20 0.60
BLM P54132 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27959311 1.00 PTGS1 (0.60) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL9369118 0.94 ADRB3 (0.56) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL8793404 0.91 PTGS1 (0.61) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL569710 0.91 PTGS1 (0.51) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL8114187 0.89 NPC1 (0.51) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL9368992 0.89 SRD5A2 (0.60) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL8114190 0.89 NPC1 (0.51) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL17699424 0.88 ALDH1A1 (0.52) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL17699363 0.86 ALDH1A1 (0.50) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL4598268 0.85 ALDH1A1 (0.57) TSHRRARBADRB3ALDH1A1ANPEP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 469 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118294579-B Method for identifying metabolites and non-target metabonomics combined supervision and study of Boea chenopodii honey 中国农业科学院蜜蜂研究所 2025-02-18 CN claimed
CN-118294579-A Method for identifying metabolites and non-target metabonomics combined supervision and study of Boea chenopodii honey 中国农业科学院蜜蜂研究所 2024-07-05 CN claimed
CN-114085301-B Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2023-05-09 CN claimed
CN-115282173-A Purslane organic acid extract and extraction method and application thereof 广西大学 2022-11-04 CN claimed
CN-114085301-A Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2022-02-25 CN claimed
CN-113773423-A Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2021-12-10 CN claimed
CN-109553703-B Catalyst component for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2021-04-13 CN claimed
CN-109553706-B Catalyst component for olefin polymerization, catalyst and application 中国石油化工股份有限公司 2021-04-13 CN claimed
CN-109553711-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-04-13 CN claimed
CN-109553704-B Catalyst component for olefin polymerization, catalyst and application 中国石油化工股份有限公司 2021-04-13 CN claimed
CN-105348276-A Synthetic method for 1-{2-floro-4-[5-(4-isobutyl phenyl)-1,2,4-oxadiazol-3-yl]-benzyl}-3-azetidinecarboxylic acid SUZHOU CONNECT BIOPHARMACEUTICALS LTD 2016-02-24 CN claimed
EP-2323968-B1 INTERNAL DONOR FOR OLEFIN POLYMERIZATION CATALYSTS BASF CORP (US) 2013-03-27 EP claimed
US-7745592-B2 Cumate-inducible expression system for eukaryotic cells NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2010-06-29 US claimed
EP-1385946-B1 A SYSTEM FOR INDUCIBLE EXPRESSION IN EUKARYOTIC CELLS CA NAT RESEARCH COUNCIL (CA) 2009-12-23 EP claimed
EP-0962459-B1 DIACETAL COMPOSITION, PROCESS FOR THE PREPARATION OF THE SAME, NUCLEATING AGENT FOR POLYOLEFINS CONTAINING THE SAME, POLYOLEFIN RESIN COMPOSITIONS, AND MOLDINGS NEW JAPAN CHEM CO LTD (JP) 2003-10-01 EP claimed
US-20020028864-A1 Diacetal composition, process for preparing the same, polyolefin nucleating agent containing said composition, polyolefin resing compositions and molded articles KOBAYASHI TOSHIAKI (JP) 2002-03-07 US claimed
US-6245843-B1 POWDER IN BINDER NEW JAPAN CHEMICAL CO., LTD. (JP) 2001-06-12 US claimed
EP-0962459-A1 DIACETAL COMPOSITION, PROCESS FOR THE PREPARATION OF THE SAME, NUCLEATING AGENT FOR POLYOLEFINS CONTAINING THE SAME, POLYOLEFIN RESIN COMPOSITIONS, AND MOLDINGS NEW JAPAN CHEMICAL CO.,LTD. (JP) 1999-12-08 EP claimed
US-4788330-A Polyprenyl compounds EISAI CO., LTD. (JP) 1988-11-29 US claimed
EP-0194693-A1 Polyprenyl compounds, processes for preparing them, and pharmaceutical composition containing them Eisai Co., Ltd. (JP) 1986-09-17 EP claimed