SCHEMBL31076284

SCHEMBL31076284

CCCCCCCCCCCCC[C@H](C)CCCCCCCC#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
ACE2 Q9BYF1 1/20 0.48
OPRM1 P35372 1/20 0.41
SPHK1 Q9NYA1 1/20 0.39
LMNA P02545 2/20 0.39
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCI P41743 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCZ Q05513 1/20 0.39
PRKCD Q05655 1/20 0.39
PRKD1 Q15139 1/20 0.39
DNM1 Q05193 2/20 0.37
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 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
SCHEMBL19077679 1.00 TSHR (0.56) TSHRACE2OPRM1SPHK1LMNA
SCHEMBL22296768 1.00 TSHR (0.56) TSHRACE2OPRM1SPHK1LMNA
SCHEMBL21091821 1.00 TSHR (0.56) TSHRACE2OPRM1SPHK1LMNA
SCHEMBL13068259 1.00 TSHR (0.56) TSHRACE2OPRM1SPHK1LMNA
SCHEMBL23961107 0.95 TSHR (0.56) TSHRACE2OPRM1SPHK1LMNA
SCHEMBL21091828 0.95 TSHR (0.56) TSHRACE2OPRM1SPHK1LMNA
SCHEMBL13067947 0.95 TSHR (0.56) TSHRACE2OPRM1SPHK1LMNA
SCHEMBL18896299 0.95 TSHR (0.56) TSHRACE2OPRM1SPHK1LMNA
SCHEMBL1958993 0.93 TSHR (0.54) TSHRACE2OPRM1SPHK1LMNA
SCHEMBL25126675 0.93 TSHR (0.54) TSHRACE2OPRM1SPHK1LMNA

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
WO-2024172932-A1 ENDOCANNABINOID LIGANDS AND RELATED ANALOGS NORTHEASTERN UNIVERSITY (US) 2024-08-22 WO disclosed