SCHEMBL6569817

SCHEMBL6569817

CCCOC(=O)c1ccccc1Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.67
ALOX15 P16050 1/20 0.67
ALDH1A1 P00352 3/20 0.65
LMNA P02545 4/20 0.54
TSHR P16473 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
FABP4 P15090 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
CDC25B P30305 4/20 0.51
CDC25A P30304 1/20 0.51
CDC25C P30307 1/20 0.51
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ELANE P08246 1/20 0.50
PRTN3 P24158 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49

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
SCHEMBL11689669 0.89 ALDH1A1 (0.68) MAPTALOX15ALDH1A1LMNATSHR
SCHEMBL2008034 0.88 MAPT (0.71) MAPTALOX15ALDH1A1LMNATSHR
SCHEMBL8541161 0.83 ALDH1A1 (0.71) MAPTALDH1A1LMNATSHRL3MBTL1
SCHEMBL31914 0.80 MAPT (1.00) MAPTALOX15ALDH1A1LMNATSHR
SCHEMBL9680274 0.80 MAPT (0.64) MAPTALOX15ALDH1A1LMNATSHR
SCHEMBL112063 0.80 ALDH1A1 (1.00) ALDH1A1LMNATSHRL3MBTL1TDP1
SCHEMBL19066309 0.80 ALDH1A1 (1.00) ALDH1A1LMNATSHRL3MBTL1TDP1
SCHEMBL5540383 0.79 ALDH1A1 (0.65) MAPTALDH1A1LMNATSHRL3MBTL1
SCHEMBL27926656 0.79 MAPT (0.62) MAPTALOX15ALDH1A1LMNAFABP4
SCHEMBL5540387 0.79 ALDH1A1 (0.65) MAPTALDH1A1LMNATSHRL3MBTL1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116574031-A Passion fruit aroma compound, preparation method thereof and passion fruit aroma essence 波顿香料股份有限公司 2023-08-11 CN claimed
CN-1176123-C Initiation system for preparing polyisobutene with reactive activity 北京化工大学 2004-11-17 CN claimed
CN-1417234-A Cation Polymerization process of preparing isoolefine polymer or copolymer CHINA PETROCHEMICAL CORP (CN) 2003-05-14 CN claimed
CN-1323841-A Initiation system for preparing polyisobutene with reactive activity UNIV BEIJING CHEMICAL ENG (CN) 2001-11-28 CN claimed
CN-116574031-A Passion fruit aroma compound, preparation method thereof and passion fruit aroma essence 波顿香料股份有限公司 2023-08-11 CN disclosed
CN-106046888-A Adhesive for impeller locking devices and preparation method thereof 保定亿嘉特种陶瓷制造有限公司 2016-10-26 CN disclosed
CN-1177870-C Cation polymerization process of preparing isoolefine polymer or copolymer 中国石油化工股份有限公司 2004-12-01 CN disclosed
CN-1176123-C Initiation system for preparing polyisobutene with reactive activity 北京化工大学 2004-11-17 CN disclosed
EP-1004654-B1 Adjuvants and methods for raising intracellular calcium ion concentration TAKASAGO PERFUMERY CO LTD (JP) 2004-04-14 EP disclosed
CN-1417234-A Cation Polymerization process of preparing isoolefine polymer or copolymer CHINA PETROCHEMICAL CORP (CN) 2003-05-14 CN disclosed
CN-1323841-A Initiation system for preparing polyisobutene with reactive activity UNIV BEIJING CHEMICAL ENG (CN) 2001-11-28 CN disclosed
US-6150409-A PREVENTING ADAPTATION TO AN ODOR-EMITTING SUBSTANCE BY COMBINING AN (ALKYL)AMINO-SUBSTITUTED BENZOIC ACID ESTER OF GIVEN FORMULA WITH THE ODOR-EMITTING SUBSTANCE TO PROLONG THE SENSORY RESPONSE OF THE SUBJECT MONELL CHEMICAL SENSES CENTER (US) 2000-11-21 US disclosed
EP-1004654-A2 Adjuvants and methods for raising intracellular calcium ion concentration Takasago International Corporation (JP) 2000-05-31 EP disclosed