SCHEMBL2649178

SCHEMBL2649178

CCc1c(C(C)C)cc(C(C)C)c(CCO)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.51
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
USP7 Q93009 2/20 0.35
HSP90AB1 P08238 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
SCHEMBL2649085 0.89 GCGR (0.63) GCGRESR1ESR2GABRA1GABRG2
SCHEMBL2648565 0.83 GCGR (0.53) GCGRGABRA1GABRG2GABRB3
SCHEMBL2649580 0.81 GCGR (0.61) GCGR
SCHEMBL2649015 0.79 GCGR (0.67) GCGR
SCHEMBL2647794 0.79 GCGR (0.59) GCGRESR1ESR2HSP90AB1
SCHEMBL2649176 0.78 GCGR (0.66) GCGR
SCHEMBL2648926 0.78 GCGR (0.78) GCGR
SCHEMBL2648121 0.77 GCGR (0.46) GCGR
SCHEMBL2907835 0.77 GCGR (0.71) GCGR
SCHEMBL2648236 0.75 GCGR (0.51) GCGRGABRA1GABRG2GABRB3USP7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934274-A1 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS Bayer Corporation (US) 1999-08-11 EP claimed
WO-1998004528-A2 SUBSTITUTED PYRIDINES AND BIPHENYLS AS ANTI-HYPERCHOLESTERINEMIC, ANTI-HYPERLIPOPROTEINEMIC AND ANTI-HYPERGLYCEMIC AGENTS BAYER CORPORATION (US) 1998-02-05 WO claimed