SCHEMBL31296429

SCHEMBL31296429

CCCCCc1cc(-c2ccccc2)c2c(c1-c1ccccc1)CC(C(=O)OC)(C(=O)OC)C2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.37
CNR1 P21554 3/20 0.37
CHRM3 P20309 8/20 0.37
PPARA Q07869 2/20 0.36
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
SOAT1 P35610 2/20 0.36
GCGR P47871 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
SCHEMBL31296421 0.89 CNR2 (0.37) CNR2CNR1PPARAESR1ESR2
SCHEMBL31296414 0.89 CHRM3 (0.39) CNR2CNR1CHRM3PPARASOAT1
SCHEMBL13259254 0.73 SMN1; SMN2 (0.41)
SCHEMBL31296495 0.71 MAOA (0.36) CNR2PPARA
SCHEMBL31296443 0.71 MEN1 (0.35) CNR2PPARA
SCHEMBL31296419 0.70 MEN1 (0.37) CNR2PPARA
SCHEMBL13259430 0.70 GCGR (0.42) CNR2GCGR
SCHEMBL29065636 0.68 LIPG (0.44) CNR2PPARAESR1ESR2GCGR
SCHEMBL31296498 0.68 MAOA (0.39) PPARAESR2
SCHEMBL13259369 0.67 PSMB5 (0.39)

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
CN-119219681-A Method for synthesizing axial chiral organoboron compounds 合成化学暨分子生物学有限公司 2024-12-31 CN disclosed