SCHEMBL29601339

SCHEMBL29601339

OC1(c2ccccc2S)CCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
OPRL1 P41146 9/20 0.37
OPRM1 P35372 8/20 0.37
OPRD1 P41143 8/20 0.37
OPRK1 P41145 8/20 0.37
CETP P11597 2/20 0.34
ADORA3 P0DMS8 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AKR1C1 Q04828 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL19205451 0.79 ALDH1A1 (0.43) SIGMAR1OPRL1OPRM1OPRD1OPRK1
SCHEMBL1703171 0.74 ALOX15 (0.38) SIGMAR1OPRL1OPRM1OPRD1OPRK1
SCHEMBL28994161 0.74 OPRM1 (0.56) SIGMAR1OPRL1OPRM1OPRD1OPRK1
SCHEMBL27035066 0.74 HDAC4 (0.49) SIGMAR1OPRL1OPRM1OPRD1OPRK1
SCHEMBL30678364 0.74 OPRM1 (0.56) SIGMAR1OPRL1OPRM1OPRD1OPRK1
SCHEMBL29710660 0.74 ALOX15 (0.38) SIGMAR1OPRL1OPRM1OPRD1OPRK1
SCHEMBL4069650 0.74 OPRL1 (0.40) SIGMAR1OPRL1OPRM1OPRD1OPRK1
SCHEMBL17982827 0.74 OPRM1 (0.56) SIGMAR1OPRL1OPRM1OPRD1OPRK1
SCHEMBL30678365 0.74 OPRM1 (0.56) SIGMAR1OPRL1OPRM1OPRD1OPRK1
SCHEMBL17733195 0.73 MEN1 (0.41) SIGMAR1ADORA3TDP1ALDH1A1MAPT

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
EP-4237404-A1 NOVEL COMPOUNDS Sitryx Therapeutics Limited (GB) 2023-09-06 EP disclosed
WO-2022090724-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2022-05-05 WO disclosed