SCHEMBL25838752

SCHEMBL25838752

O=CC12CCC(c3cccc(O)c3)(CC1)CC2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.41
SIGMAR1 Q99720 9/20 0.41
OPRK1 P41145 5/20 0.40
OPRM1 P35372 4/20 0.40
CA12 O43570 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37

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
SCHEMBL2447393 0.77 PNMT (0.54) OPRK1OPRM1ALDH1A1
SCHEMBL18808437 0.76 SIGMAR1 (0.37) OPRD1SIGMAR1OPRK1OPRM1
SCHEMBL25305560 0.71 OPRK1 (0.42) OPRD1SIGMAR1OPRK1OPRM1
SCHEMBL9137028 0.70 ALOX5 (0.44) OPRD1SIGMAR1OPRK1OPRM1CA12
SCHEMBL18808716 0.67 OPRD1 (0.37) OPRD1SIGMAR1OPRK1OPRM1
SCHEMBL22348649 0.67 PNMT (0.32)
SCHEMBL27430682 0.67 OPRD1 (0.46) OPRD1OPRK1OPRM1CA12ALDH1A1
SCHEMBL20743911 0.67 PNMT (0.45) OPRK1OPRM1ALDH1A1LMNA
SCHEMBL22347234 0.67 UHRF1 (0.37)
SCHEMBL30503536 0.67 OPRM1 (0.43) OPRD1SIGMAR1OPRK1OPRM1

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-2023118576-A1 DHODH INHIBITORS CONTAINING A CARBOXYLIC ACID BIOISOSTERE IMMUNIC AG (DE) 2023-06-29 WO disclosed