SCHEMBL9244232

SCHEMBL9244232

CCCCCCCCCCCCCCCC[S+]([O-])CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
CETP P11597 1/20 0.45
DNM1 Q05193 2/20 0.42
HTR2A P28223 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 2/20 0.40
DRD2 P14416 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL12040726 1.00 KCNH2 (0.47) KCNH2SIGMAR1CETPDNM1HTR2A
SCHEMBL9247311 0.93 KCNH2 (0.56) KCNH2SIGMAR1CETPHTR2ATP53
SCHEMBL12040713 0.86 SIGMAR1 (0.49) KCNH2SIGMAR1HTR2AOPRM1DRD3
SCHEMBL9245737 0.84 DNM1 (0.43) KCNH2SIGMAR1CETPDNM1MEN1
SCHEMBL11223470 0.84 DNM1 (0.43) KCNH2SIGMAR1CETPDNM1MEN1
SCHEMBL5074191 0.84 DNM1 (0.43) KCNH2SIGMAR1CETPDNM1MEN1
SCHEMBL349504 0.82 ALDH1A1 (0.48) SIGMAR1HTR2ASMN1; SMN2HPGD
SCHEMBL779931 0.81 MAOA (0.52) SIGMAR1HTR2A
SCHEMBL12040649 0.80 SIGMAR1 (0.47) KCNH2SIGMAR1OPRM1DRD3
SCHEMBL19063505 0.79 TP53 (0.42) KCNH2SIGMAR1HTR2ATP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5401390-A Oxidation of mercaptans to disulfides UOP (US) 1995-03-28 US disclosed
US-5318936-A Metal chelate dispersed on catalyst support; layered double hydroxide; for oxidizing mercaptans to disulfides UOP (US) 1994-06-07 US disclosed
US-5286372-A Catalyst is composed of metal chelate dispersed on basic support which is either a solid solution of metal oxides or a layered double hydroxide UOP (US) 1994-02-15 US disclosed
US-5232887-A Metal chelate diispersed on a metal oxide or layered double hydroxide support UOP (US) 1993-08-03 US disclosed
US-4913802-A OXIDIZING MERCAPTAN TO DISULFIDES USING AMMONIUM HYDROXIDE AND A QUATERNARY AMMONIUM HYDROXIDE WITH CATALYTIC COMPOSITE UOP (US) 1990-04-03 US disclosed