SCHEMBL9869660

SCHEMBL9869660

Cc1ccc(S(=O)(=O)O[C@@H](C)C[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.44
▸ PPARG P37231 2/20 0.43
▸ PPARA Q07869 2/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ ADAMTS4 O75173 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ DAGLA Q9Y4D2 1/20 0.36
▸ VDR P11473 1/20 0.36
▸ PARL Q9H300 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
SCHEMBL5831287 0.82 GAA (0.45) GAACYP2C9CYP2C19SMN1; SMN2CA12
SCHEMBL18737643 0.82 GAA (0.45) GAACYP2C9CYP2C19SMN1; SMN2CA12
SCHEMBL14778372 0.82 GAA (0.45) GAACYP2C9CYP2C19SMN1; SMN2CA12
SCHEMBL17404667 0.82 GAA (0.45) GAACYP2C9CYP2C19SMN1; SMN2CA12
SCHEMBL16424498 0.82 GAA (0.45) GAACYP2C9CYP2C19SMN1; SMN2CA12
SCHEMBL9870750 0.78 CYP1A2 (0.56) PPARGPPARACYP1A2GAACYP2C9
SCHEMBL26603624 0.78 PPARG (0.45) PPARGPPARACYP1A2GAACYP2C9
SCHEMBL18718195 0.77 CA2 (0.46) GAACYP2C9CYP2C19SMN1; SMN2CA12
SCHEMBL14778447 0.77 CA2 (0.46) GAACYP2C9CYP2C19SMN1; SMN2CA12
SCHEMBL23586068 0.77 MTNR1A (0.46) CNR2PPARGPPARACYP1A2GAA

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-5043094-A Optically active bisaryl compound ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1991-08-27 — — US disclosed
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