SCHEMBL447136

SCHEMBL447136

CCC(C(=O)O)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
ALDH1A1 P00352 3/20 0.46
ACP3 P15309 3/20 0.45
CYP1A2 P05177 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
EPHX2 P34913 2/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
SLC6A4 P31645 1/20 0.43
TSHR P16473 1/20 0.43

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
Pyridine SCHEMBL28079938 0.91 KMT2A (0.45) CYP2C9CYP2C19HPGDHTTPPARG
SCHEMBL28455426 0.91 HPRT1 (0.42) CYP2C9CYP2C19HPGDHTTPPARG
SCHEMBL599642 0.91 CYP2C9 (0.43) CYP2C9CYP2C19HPGDHTTPPARG
Pyridine SCHEMBL28080043 0.90 KMT2A (0.44) CYP2C9CYP2C19HPGDHTTPPARG
SCHEMBL10827609 0.89 CYP2C9 (0.47) CYP2C9CYP2C19HPGDHTTALDH1A1
SCHEMBL5638282 0.87 CYP2C9 (0.46) CYP2C9CYP2C19HPGDHTTPPARG
SCHEMBL29439167 0.85 AKR1C3 (0.44) CYP2C19HPGDPPARGPPARAALDH1A1
SCHEMBL3255854 0.85 ALDH1A1 (0.48) CYP2C9CYP2C19HPGDHTTALDH1A1
SCHEMBL6366679 0.84 CYP2C9 (0.49) CYP2C9CYP2C19HPGDHTTPPARG
SCHEMBL1863359 0.84 CYP2C9 (0.49) CYP2C9CYP2C19HPGDHTTPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118978602-B PH response type nano antibacterial peptide with immunoregulation function, and preparation method and application thereof 东北农业大学 2025-06-10 CN claimed
CN-118978602-A PH response type nano antibacterial peptide with immunoregulation function, and preparation method and application thereof 东北农业大学 2024-11-19 CN claimed
CN-118459329-A Functionalized metal carboxylate and nanocrystalline polymer composite material prepared by using same 河北工业大学 2024-08-09 CN claimed
CN-115247192-A Enzymatic preparation technology of acyl/aroyl coenzyme A 中国医学科学院药物研究所 2022-10-28 CN claimed
CN-109706123-A The construction method of anti-naphthalene monoclonal antibody hybridoma cell strain 上海交通大学 2019-05-03 CN claimed
CN-105860595-B A kind of graphene of hyperbranched poly triazole functionalization and preparation method thereof 华中科技大学 2017-11-14 CN claimed
EP-3206723-A1 BIOLOGICAL INDICATOR American Sterilizer Company (US) 2017-08-23 EP claimed
US-9701968-B2 Biological indicator AMERICAN STERILIZER COMPANY (US) 2017-07-11 US claimed
CN-104927843-B Photoluminescent room-temperature ionic liquid preparation method 山东大学 2017-03-22 CN claimed
US-20160312263-A1 BIOLOGICAL INDICATOR AMERICAN STERILIZER CO (US) 2016-10-27 US claimed
EP-2033635-A1 Short-chain fatty acid derivatives for treating pruritus Asan Laboratories Company (Cayman) Limited (CN) 2009-03-11 EP claimed
CN-101380317-A Pharmaceutical composition for relieving pruritus CAYMAN ISLAND SHANGANSHENG DEV (CN) 2009-03-11 CN claimed
WO-2008082728-A2 STERILIZATION INDICATOR AMERICAN STERILIZER COMPANY (US) 2008-07-10 WO claimed
WO-2008079469-A2 GENETICALLY ENGINEERED BIOLOGICAL INDICATOR AMERICAN STERILIZER COMPANY (US) 2008-07-03 WO claimed
US-20080107646-A1 Administering phenylbutyric acid derivative and pharmaceutically acceptable carrier Sunny Pharmtech Inc. (TW) 2008-05-08 US claimed
US-20080070231-A1 Reporter genes taken up by microorganism, and repressor gene inhibits expression AMERICAN STERILIZER COMPANY 2008-03-20 US claimed
US-20080070272-A1 STERILIZATION INDICATOR AMERICAN STERILIZER COMPANY 2008-03-20 US claimed
US-6403646-B1 ADMINISTERING PHENYLBUTYRIC ACID OR DERIVATIVES TO TREAT LIVER DISEASE AND EMPHYSEMA CAUSED BY PROTEASE INHIBITOR TYPE Z MUTATION; STIMULATES SECRETION WITHOUT INCREASING SYNTHESIS OF PROTEIN PERLMUTTER DAVID H (US) 2002-06-11 US claimed
US-5919313-A CLEANING, DISINFECTING CONTACT LENSES ALCON LABORATORIES, INC. (US) 1999-07-06 US claimed
US-5672213-A STABLE PROTEASE SOLUTION FOR CLEANING CONTACT LENSES ALCON LABORATORIES, INC. (US) 1997-09-30 US claimed