SCHEMBL10945828

SCHEMBL10945828

CCCCCC(S)CCC(S)CCCCC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.41
THRB P10828 1/20 0.41
DNM1 Q05193 2/20 0.41
FDPS P14324 4/20 0.39
GPR84 Q9NQS5 3/20 0.37
SPHK1 Q9NYA1 1/20 0.37
FFAR1 O14842 1/20 0.37
CA1 P00915 1/20 0.37
MAPT P10636 1/20 0.36
TP53 P04637 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
SCHEMBL27525800 1.00 OPRM1 (0.46) OPRM1LMNATSHRTHRBDNM1
SCHEMBL10946118 0.97 TSHR (0.47) OPRM1LMNATSHRTHRBDNM1
SCHEMBL10949088 0.97 TSHR (0.47) OPRM1LMNATSHRTHRBDNM1
SCHEMBL3089819 0.97 OPRM1 (0.48) OPRM1LMNATSHRTHRBDNM1
SCHEMBL42597 0.94 DNM1 (0.50) OPRM1LMNATSHRTHRBDNM1
SCHEMBL10774678 0.94 TSHR (0.50) OPRM1LMNATSHRTHRBDNM1
SCHEMBL10775752 0.94 TSHR (0.50) OPRM1LMNATSHRTHRBDNM1
SCHEMBL10773668 0.94 TSHR (0.50) OPRM1LMNATSHRTHRBDNM1
SCHEMBL5903021 0.94 TSHR (0.50) OPRM1LMNATSHRTHRBDNM1
SCHEMBL10775700 0.94 TSHR (0.50) OPRM1LMNATSHRTHRBDNM1

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-4544796-A Solvent extraction of aromatic compounds using alkylsulfoxide solvents UOP INC. (US) 1985-10-01 US disclosed