SCHEMBL10546397

SCHEMBL10546397

CC1(S(=O)(=O)O)CC(c2ccccc2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KDM1A O60341 4/20 0.35
MAOA P21397 4/20 0.35
MAOB P27338 4/20 0.35
HTR2A P28223 1/20 0.35
OPRD1 P41143 1/20 0.34

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
SCHEMBL28025960 0.75 SIGMAR1 (0.49) SIGMAR1KDM1AMAOAMAOBHTR2A
SCHEMBL11205351 0.67 SIGMAR1 (0.41) SIGMAR1KDM1AMAOAMAOBHTR2A
SCHEMBL11311503 0.67 AKR1B1 (0.39) SIGMAR1KDM1AMAOAMAOBHTR2A
SCHEMBL9390074 0.67 AKR1B1 (0.51) HTR2A
SCHEMBL28623848 0.66 SIGMAR1 (0.40) SIGMAR1KDM1AMAOAMAOBHTR2A
SCHEMBL28615808 0.66 SIGMAR1 (0.40) SIGMAR1
SCHEMBL28627161 0.65 SIGMAR1 (0.40) SIGMAR1KDM1AMAOAMAOBHTR2A
SCHEMBL2779458 0.65 DRD1 (0.38) SIGMAR1HPGDHTR2AOPRD1
SCHEMBL30740070 0.65 DRD1 (0.38) SIGMAR1HPGDHTR2AOPRD1
SCHEMBL26517642 0.64 HTR2A (0.36) SIGMAR1HPGDKDM1AHTR2AOPRD1

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-4816185-A DETERGENTS, ANIONIC SURFACTANTS CHEVRON RESEARCH COMPANY (US) 1989-03-28 US disclosed