SCHEMBL11988588

SCHEMBL11988588

Cc1cc(C(C)(C)C)cc(SO)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.43
▸ GABRB2 P47870 2/20 0.43
▸ CYP2C19 P33261 4/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ POLB P06746 2/20 0.40
▸ ESR1 P03372 2/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ CYP2D6 P10635 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ ALOX15 P16050 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTR1D P28221 2/20 0.36
▸ HTR1B P28222 1/20 0.36

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
SCHEMBL7524657 0.85 ALDH1A1 (0.47) GABRA1GABRB2CYP2C19CYP1A2CYP2C9
SCHEMBL19194560 0.83 ALDH1A1 (0.43) GABRA1GABRB2CYP2C19CYP1A2CYP2C9
SCHEMBL16977970 0.80 GABRA1 (0.40) GABRA1GABRB2CYP2C19CYP1A2CYP2C9
SCHEMBL201609 0.79 GABRA1 (0.57) GABRA1GABRB2CYP2C19CYP1A2CYP2C9
SCHEMBL28119481 0.77 GABRA1 (0.55) GABRA1GABRB2CYP2C19CYP1A2CYP2C9
Dimethylamine SCHEMBL8990212 0.73 GABRA1 (0.50) GABRA1GABRB2CYP2C19CYP1A2CYP2C9
SCHEMBL19202646 0.73 CA1 (0.42) CYP2C19CYP1A2CYP2C9ESR1ESR2
SCHEMBL19732817 0.73 GABRA1 (0.50) GABRA1GABRB2CYP2C19CYP1A2CYP2C9
SCHEMBL931756 0.73 ALDH1A1 (0.50) GABRA1GABRB2CYP2C19CYP1A2CYP2C9
SCHEMBL10887261 0.71 GABRA1 (0.48) GABRA1GABRB2CYP2C19CYP1A2CYP2C9

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-8247144-B2 Photoreceptor for electrophotography HODOGAYA CHEMICAL CO., LTD. (JP) 2012-08-21 — — US disclosed
US-20100104964-A1 PHOTORECEPTOR FOR ELECTROPHOTOGRAPHY HODOGAYA CHEMICAL CO., LTD. (JP) 2010-04-29 — — US disclosed
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