SCHEMBL14280370

SCHEMBL14280370

O=C(/C=C/c1ccc(Cl)cc1S(=O)(=O)O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.57
▸ MAPT P10636 6/20 0.50
▸ CYP1B1 Q16678 2/20 0.50
▸ TYR P14679 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ GRM5 P41594 1/20 0.49
▸ LMNA P02545 4/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ NPC1 O15118 3/20 0.46
▸ RECQL P46063 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ GPR55 Q9Y2T6 1/20 0.46
▸ BCHE P06276 2/20 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
SCHEMBL27959814 0.82 MAPT (0.54) MAOBMAPTCYP1B1TYRMAPK1
SCHEMBL1489046 0.82 MAPT (0.54) MAOBMAPTCYP1B1TYRMAPK1
SCHEMBL656140 0.81 LMNA (0.70) MAOBMAPTCYP1B1TYRMAPK1
SCHEMBL656139 0.81 LMNA (0.70) MAOBMAPTCYP1B1TYRMAPK1
SCHEMBL15223339 0.80 RAD1 (0.51) MAPTALDH1A1KDM4EHPGD
SCHEMBL21647126 0.80 TYR (0.72) MAOBMAPTCYP1B1TYRMAPK1
SCHEMBL21647110 0.80 TYR (0.72) MAOBMAPTCYP1B1TYRMAPK1
SCHEMBL29837044 0.80 TYR (0.72) MAOBMAPTCYP1B1TYRMAPK1
SCHEMBL11655661 0.77 MAOB (0.56) MAOBMAPTCYP1B1TYRMAPK1
SCHEMBL27969144 0.77 MAOB (0.56) MAOBMAPTCYP1B1TYRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759112-B2 Multifunctional reference system for analyte determinations by fluorescence ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2014-06-24 — — US disclosed
US-8759112-B2 Multifunctional reference system for analyte determinations by fluorescence ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2014-06-24 — — US disclosed
US-20080014655-A1 Multifunctional Reference System For Analyte Determinations By Fluorescence ROCHE DIAGNOSTICS OPERATIONS, INC. (IN) 2008-01-17 — — US disclosed
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