SCHEMBL7209407

SCHEMBL7209407

Cc1ccc(SC(C)(C)C)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
CASP1 P29466 1/20 0.48
TRPA1 O75762 2/20 0.45
PTGS1 P23219 1/20 0.45
CACNA1C Q13936 1/20 0.45
ACHE P22303 1/20 0.41
AR P10275 2/20 0.39
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 2/20 0.38
HIF1A Q16665 2/20 0.38
PKM P14618 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
G6PD P11413 1/20 0.38
CYP2C9 P11712 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
SCHEMBL9331677 0.83 ESR1 (0.52) ARALDH1A1ALOX15MAPTKDM4E
SCHEMBL2733009 0.80 AR (0.42) TSHRARALDH1A1MAPTKDM4E
SCHEMBL11666686 0.78 TSHR (0.50) TSHRCASP1TRPA1PTGS1CACNA1C
SCHEMBL7399104 0.76 MCL1 (0.48) TSHRCASP1TRPA1PTGS1CACNA1C
SCHEMBL23712588 0.74 TSHR (0.46) TSHRCASP1TRPA1PTGS1CACNA1C
SCHEMBL11062721 0.73 HSD17B10 (0.45) TSHRARALDH1A1MAPTKDM4E
SCHEMBL11553732 0.73 ALDH1A1 (0.55) TSHRARALDH1A1ALOX15MAPT
SCHEMBL199921 0.71 CA2 (0.46) TSHRPTGS1ACHEALDH1A1ALOX15
SCHEMBL18663454 0.71 TSHR (0.43) TSHRCASP1TRPA1PTGS1CACNA1C
SCHEMBL11241718 0.71 MAOB (0.52) TSHRTRPA1ALDH1A1CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6503680-B1 Latex processes XEROX CORPORATION 2003-01-07 US disclosed
EP-0157079-A2 Process and product for decreasing the viscosity of elastomers BAYER AG (DE) 1985-10-09 EP disclosed