SCHEMBL9652102

SCHEMBL9652102

CC(C)(C)c1cc(Cc2ccccc2)c(O)c(C(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.66
▸ PTPN2 P17706 3/20 0.66
▸ PTPN6 P29350 3/20 0.66
▸ HMGB1 P09429 1/20 0.45
▸ CXCL12 P48061 1/20 0.45
▸ HNF4A P41235 1/20 0.45
▸ BCL2 P10415 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ LDHA P00338 1/20 0.43
▸ LDHB P07195 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ AKR1C1 Q04828 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
SCHEMBL8425547 0.89 PTPN1 (0.62) PTPN1PTPN2PTPN6HMGB1CXCL12
SCHEMBL9652680 0.87 PTPN1 (0.61) PTPN1PTPN2PTPN6HMGB1CXCL12
SCHEMBL9252184 0.87 ALDH1A1 (0.51) PTPN1PTPN2PTPN6ALDH1A1HPGD
SCHEMBL9252807 0.86 PTPN1 (0.59) PTPN1PTPN2PTPN6HMGB1CXCL12
SCHEMBL10871265 0.86 BCL2 (0.52) PTPN1PTPN2PTPN6BCL2
SCHEMBL11212329 0.84 BCL2 (0.50) PTPN1PTPN2PTPN6BCL2
SCHEMBL9252811 0.82 CNR1 (0.55) PTPN1PTPN2PTPN6
SCHEMBL9252181 0.80 PTPN1 (0.71) PTPN1PTPN2PTPN6HMGB1CXCL12
SCHEMBL7110304 0.80 CYP2C9 (0.52) PTPN1PTPN2PTPN6BCL2ALDH1A1
SCHEMBL5444611 0.80 PTPN1 (1.00) PTPN1PTPN2PTPN6HMGB1CXCL12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5141557-A Mixture of benzoic acid salt, anionic surfactant, and novolak phenolic resin BROTHER KOGYO KABUSHIKI KAISHA (JP) 1992-08-25 — — US disclosed
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