SCHEMBL9024638

SCHEMBL9024638

Cc1cc(F)ccc1OS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.42
PTGS1 P23219 2/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
ALPL P05186 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
STS P08842 1/20 0.38
SLC6A4 P31645 2/20 0.37

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
SCHEMBL4127325 0.83 MRGPRX4 (0.41) PTGS2PTGS1TSHRCYP1A2ALDH1A1
SCHEMBL3746820 0.82 PTGS2 (0.43) PTGS2PTGS1ALDH1A1MAPTKDM4E
SCHEMBL9957765 0.81 KDM4E (0.49) PTGS2TSHRALDH1A1LMNAKDM4E
SCHEMBL31195545 0.80 MRGPRX4 (0.40) PTGS2PTGS1TSHRALDH1A1LMNA
SCHEMBL3859664 0.80 TSHR (0.44) PTGS2PTGS1TSHRCYP1A2ALPL
SCHEMBL6937925 0.80 CA1 (0.55) TSHRCYP1A2ALPLHSD17B10LMNA
SCHEMBL7164207 0.79 ALDH1A1 (0.43) PTGS2TSHRALDH1A1KDM4EKMT2A
SCHEMBL9958058 0.79 KDM4E (0.47) PTGS2TSHRALDH1A1LMNAKDM4E
SCHEMBL11568855 0.79 PKM (0.47) PTGS2PTGS1TSHRCYP1A2ALPL
SCHEMBL3751243 0.78 PTGS2 (0.37) PTGS2PTGS1TSHRKDM4ESLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0485544-B1 OXIDATIVE HAIR DYE CONTAINING 3-AMINOPHENOL DERIVATIVES, PROCESS FOR OXIDATIVE DYEING OF HAIR AND NEW 3-AMINOPHENOL DERIVATIVES WELLA AG (DE) 1996-10-16 EP disclosed
US-5409503-A High color intensity red shades WELLA AKTIENGESELLSCHAFT (DE) 1995-04-25 US disclosed
EP-0485544-A1 OXIDATIVE HAIR DYE CONTAINING 3-AMINOPHENOL DERIVATIVES, PROCESS FOR OXIDATIVE DYEING OF HAIR AND NEW 3-AMINOPHENOL DERIVATIVES. WELLA AG (DE) 1992-05-20 EP disclosed
WO-1991018583-A1 OXIDATIVE HAIR DYE CONTAINING 3-AMINOPHENOL DERIVATIVES, PROCESS FOR OXIDATIVE DYEING OF HAIR AND NEW 3-AMINOPHENOL DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1991-12-12 WO disclosed