SCHEMBL25236451

SCHEMBL25236451

CC(Cc1ccc(C2CCC3(CC2)OCCO3)c(Cl)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 12/20 0.41
P2RX3 P56373 1/20 0.39
OPRD1 P41143 2/20 0.37
OPRK1 P41145 1/20 0.36
OPRL1 P41146 3/20 0.36
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35

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
SCHEMBL25236450 1.00 C5AR1 (0.41) C5AR1P2RX3OPRD1OPRK1OPRL1
SCHEMBL25213573 1.00 C5AR1 (0.41) C5AR1P2RX3OPRD1OPRK1OPRL1
SCHEMBL25576131 0.87 C5AR1 (0.45) C5AR1P2RX3OPRD1OPRL1
SCHEMBL30469200 0.87 C5AR1 (0.45) C5AR1P2RX3OPRD1OPRL1
SCHEMBL30469180 0.87 C5AR1 (0.45) C5AR1P2RX3OPRD1OPRL1
SCHEMBL30469182 0.87 C5AR1 (0.45) C5AR1P2RX3OPRD1OPRL1
SCHEMBL25214923 0.87 C5AR1 (0.45) C5AR1P2RX3OPRD1OPRL1
SCHEMBL25576129 0.87 C5AR1 (0.45) C5AR1P2RX3OPRD1OPRL1
SCHEMBL25250725 0.84 TRPV3 (0.38) C5AR1OPRD1OPRK1OPRL1
SCHEMBL31067853 0.84 TRPV3 (0.38) C5AR1OPRD1OPRK1OPRL1

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-2023097234-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 WO disclosed