SCHEMBL9201207

SCHEMBL9201207

C=CCc1cc(-c2cc(O)c(O)cc2CCC)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.61
GABRB2 P47870 9/20 0.61
ALOX5 P09917 5/20 0.57
CNR2 P34972 4/20 0.57
CNR1 P21554 2/20 0.57
POLB P06746 2/20 0.57
MEN1 O00255 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
GABRB1 P18505 1/20 0.57
RXRA P19793 1/20 0.57
GABRA5 P31644 1/20 0.57
GABRA3 P34903 1/20 0.57
GABRA2 P47869 1/20 0.57
KMT2A Q03164 1/20 0.57
ACE2 Q9BYF1 1/20 0.57
SIRT3 Q9NTG7 1/20 0.57
AKR1B1 P15121 1/20 0.56
XDH P47989 2/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL15376929 0.86 GABRA1 (0.58) GABRA1GABRB2ALOX5CNR2CNR1
SCHEMBL9271749 0.85 GABRA1 (0.56) GABRA1GABRB2ALOX5CNR2CNR1
SCHEMBL11037594 0.83 GABRA1 (0.58) GABRA1GABRB2ALOX5CNR2CNR1
SCHEMBL15377159 0.82 GABRA1 (0.52) GABRA1GABRB2ALOX5CNR2CNR1
SCHEMBL29443445 0.82 GABRA1 (0.76) GABRA1GABRB2ALOX5CNR2CNR1
SCHEMBL7785437 0.82 GABRA1 (0.76) GABRA1GABRB2ALOX5CNR2CNR1
SCHEMBL9201904 0.80 GABRA1 (0.60) GABRA1GABRB2ALOX5CNR2CNR1
SCHEMBL7785448 0.79 GABRA1 (0.76) GABRA1GABRB2ALOX5CNR2CNR1
SCHEMBL11891611 0.78 GABRA1 (0.46) GABRA1GABRB2ALOX5CNR2CNR1
SCHEMBL252293 0.78 GABRA1 (1.00) GABRA1GABRB2ALOX5CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0382213-B1 Biphenyl derivative, nerve cell degeneration repairing or protecting agent and process for preparing a phenyl derivative contained in the agent OTSUKA PHARMA CO LTD (JP) 1995-05-10 EP disclosed
US-5053548-A Containing hydroxy substituents; nervous system disorders OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-10-01 US disclosed
EP-0382213-A2 Biphenyl derivative, nerve cell degeneration repairing or protecting agent and process for preparing a phenyl derivative contained in the agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed