SCHEMBL4656386

SCHEMBL4656386

OC=CCc1ccc(O)c(-c2cccc3[nH]nnc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRB2 P47870 3/20 0.39
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALDH2 P05091 1/20 0.39
AKR1B1 P15121 1/20 0.39
HPGD P15428 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
POLB P06746 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL2730924 0.86 GABRA1 (0.57) GABRA1GABRB2CNR1CNR2MEN1
SCHEMBL27388475 0.82 ENPP2 (0.36) GABRA1GABRB2CNR1CNR2MEN1
SCHEMBL1233050 0.81
SCHEMBL28499025 0.81 BACE1 (0.41) GABRA1GABRB2CNR1CNR2MEN1
SCHEMBL30567518 0.80 CNR1 (0.56) GABRA1GABRB2CNR1CNR2MEN1
SCHEMBL9616136 0.78
SCHEMBL28309366 0.78 CNR1 (0.47) CNR1CNR2GAAHPGDNPSR1
SCHEMBL11880583 0.77 GAA (0.46) MEN1GAAMAPTKMT2AALDH1A1
SCHEMBL8101394 0.77 CNR1 (0.46) CNR1CNR2
SCHEMBL7108215 0.77 HTR2C (0.30)

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-1033590-B1 Ocular lens material MENICON CO LTD (JP) 2008-05-07 EP disclosed
US-6329445-B1 Ocular lens material MENICON CO., LTD (JP) 2001-12-11 US disclosed
EP-1033590-A2 Ocular lens material Menicon Co., Ltd. (JP) 2000-09-06 EP disclosed