SCHEMBL9652600

SCHEMBL9652600

CC(C)c1cc(-c2ccccc2)cc(C(=O)O)c1O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.60
▸ AKR1C2 P52895 8/20 0.58
▸ AKR1C1 Q04828 8/20 0.58
▸ AKR1C3 P42330 2/20 0.58
▸ AKR1C4 P17516 1/20 0.58
▸ PTPN2 P17706 1/20 0.57
▸ PTPN6 P29350 1/20 0.57
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ ACMSD Q8TDX5 3/20 0.50
▸ MCL1 Q07820 2/20 0.50
▸ BCL2 P10415 2/20 0.50
▸ HNF4A P41235 2/20 0.50
▸ DHFR P00374 1/20 0.50
▸ GABRA1 P14867 1/20 0.50
▸ GABRB1 P18505 1/20 0.50
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ HTT P42858 1/20 0.45

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
SCHEMBL5888689 0.86 PTPN1 (0.55) PTPN1AKR1C2AKR1C1AKR1C3AKR1C4
SCHEMBL9500548 0.84 PTPN1 (0.54) PTPN1AKR1C2AKR1C1AKR1C3AKR1C4
SCHEMBL24757582 0.84 CA1 (0.74) CA1CA2MCL1BCL2GABRA1
SCHEMBL10026544 0.82 CA1 (0.71) CA1CA2MCL1BCL2GABRA1
SCHEMBL27999624 0.82 PTPN1 (0.78) PTPN1AKR1C2AKR1C1AKR1C3AKR1C4
SCHEMBL9769835 0.80 AKR1C2 (0.51) PTPN1AKR1C2AKR1C1AKR1C3AKR1C4
SCHEMBL11236886 0.78 HSD17B10 (0.61) MCL1BCL2GABRA1GABRB1HTT
SCHEMBL9652065 0.78 MCL1 (0.48) PTPN1MCL1BCL2GABRA1GABRB1
SCHEMBL8046560 0.77 PTPN1 (0.66) PTPN1AKR1C2AKR1C1AKR1C3AKR1C4
Benzene SCHEMBL9253514 0.77 FABP3 (0.58) CA1CA2MCL1BCL2GABRA1

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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