SCHEMBL6680322

SCHEMBL6680322

C=CCOC(=O)c1ccccc1S(=O)(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.70
TSHR P16473 5/20 0.60
ALDH1A1 P00352 3/20 0.60
HSD17B10 Q99714 1/20 0.60
RHOA P61586 1/20 0.46
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
LIG1 P18858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL29225330 0.98 CYP3A4 (0.68) CYP3A4TSHRALDH1A1HSD17B10RHOA
SCHEMBL8040029 0.87 CYP3A4 (0.59) CYP3A4TSHRALDH1A1HSD17B10RHOA
SCHEMBL11214179 0.86 CYP3A4 (0.68) CYP3A4TSHRALDH1A1HSD17B10RHOA
SCHEMBL8040033 0.84 CYP3A4 (0.56) CYP3A4TSHRALDH1A1HSD17B10RHOA
SCHEMBL27474785 0.83 CYP3A4 (1.00) CYP3A4TSHRALDH1A1HSD17B10RHOA
SCHEMBL29362146 0.83 CYP3A4 (1.00) CYP3A4TSHRALDH1A1HSD17B10RHOA
SCHEMBL15174 0.83 CYP3A4 (1.00) CYP3A4TSHRALDH1A1HSD17B10RHOA
SCHEMBL16371573 0.83 CYP3A4 (1.00) CYP3A4TSHRALDH1A1HSD17B10RHOA
SCHEMBL16029499 0.83 CYP3A4 (0.67) CYP3A4TSHRALDH1A1HSD17B10RHOA
SCHEMBL6560752 0.82 CA1 (0.44) CYP3A4TSHRALDH1A1HSD17B10CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104968325-B With improved beautiful and sensory quality composition 荷兰联合利华有限公司 2018-07-20 CN claimed
CN-104968325-A COMPOSITIONS WITH IMPROVED AESTHETIC AND SENSORIAL PROPERTIES UNILEVER NV 2015-10-07 CN claimed
EP-0261957-B1 CHEMICAL COMPOSITIONS AND USE AS FUEL ADDITIVES EXXON CHEMICAL PATENTS INC. (US) 1992-03-11 EP claimed
US-4396520-A POLYSACCHARIDES, ANIONIC SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 1983-08-02 US claimed
WO-2023168301-A2 HOME CARE COMPOSITIONS COMPRISING MICROBIALLY PRODUCED OIL AND DERIVATIVES THEREOF C16 Biosciences, Inc. (US) 2023-09-07 WO disclosed
CN-107072972-A Compositions and methods for treating cardiac fibrosis with ifetroban 坎伯兰医药品股份有限公司 2017-08-18 CN disclosed
US-20160330969-A1 ANTIMICROBIAL COMPOSITIONS AND ARTICLES O'CONNELL JR JOHN F (US) 2016-11-17 US disclosed
CN-104968325-A COMPOSITIONS WITH IMPROVED AESTHETIC AND SENSORIAL PROPERTIES UNILEVER NV 2015-10-07 CN disclosed
WO-2015061632-A2 ANTIMICROBIAL COMPOSITIONS AND ARTICLES O'CONNELL JOHN F (US) 2015-04-30 WO disclosed
JP-2004349525-A CONDUCTIVE POLYMER AND SOLID-STATE ELECTROLYTIC CAPACITOR USING SAME TAYCA CORP 2004-12-09 JP disclosed
US-6156721-A Use of anionic gemini tensides in formulations for washing, cleaning and body care agents RWE-DEA AKTIENGESELLSCHAFT FUER MINERALOEL UND CHEMIE (DE) 2000-12-05 US disclosed