SCHEMBL23639717

SCHEMBL23639717

COCCC12CCC(C(=O)OC)(CC1)C2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.35
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
DPP4 P27487 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL23624135 0.84 CYP4F2 (0.34) CHRM1CYP4F2CYP4A11LMNANPSR1
SCHEMBL30834944 0.84 CYP4F2 (0.41) CHRM1CYP4F2CYP4A11LMNANPSR1
SCHEMBL25415119 0.82 CYP4F2 (0.33) CHRM1CYP4F2CYP4A11LMNANPSR1
SCHEMBL26778823 0.81 CYP4F2 (0.35) CHRM1CYP4F2CYP4A11LMNANPSR1
SCHEMBL13593976 0.79 PKM (0.35) CHRM1CYP4F2CYP4A11LMNANPSR1
SCHEMBL16055077 0.79 CYP4F2 (0.36) CHRM1CYP4F2CYP4A11LMNANPSR1
SCHEMBL25135437 0.79 CYP4F2 (0.32) CHRM1CYP4F2CYP4A11LMNANPSR1
SCHEMBL16700230 0.78 CHRM1 (0.33) CHRM1CYP4F2CYP4A11LMNANPSR1
SCHEMBL13163057 0.78 CHRM1 (0.33) CHRM1CYP4F2CYP4A11LMNANPSR1
SCHEMBL17317454 0.76 CHRM1 (0.35) CHRM1CYP4F2CYP4A11LMNANPSR1

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-2021139647-A1 BIPHENYL FLUORINE DOUBLE BOND DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF 上海和誉生物医药科技有限公司 2021-07-15 WO disclosed