SCHEMBL10907261

SCHEMBL10907261

C=CCc1ccc(O)c(CN)c1CC=C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.47
GABRB2 P47870 4/20 0.47
SRD5A1 P18405 2/20 0.41
POLB P06746 2/20 0.41
XDH P47989 2/20 0.40
ALDH1A1 P00352 4/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
AKR1B1 P15121 2/20 0.39
HPGD P15428 2/20 0.39
ALDH2 P05091 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX5 P09917 2/20 0.38

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
SCHEMBL45432 0.88 GABRA1 (0.53) GABRA1GABRB2SRD5A1POLBXDH
SCHEMBL9297409 0.86 GABRA1 (0.52) GABRA1GABRB2SRD5A1POLBXDH
SCHEMBL11820117 0.83 GABRA1 (0.48) GABRA1GABRB2SRD5A1POLBXDH
SCHEMBL1119848 0.82 GABRA1 (0.36) GABRA1GABRB2POLB
SCHEMBL11883899 0.81 GABRA1 (0.43) GABRA1GABRB2SRD5A1POLBXDH
SCHEMBL1918099 0.79 GABRA1 (0.43) GABRA1GABRB2SRD5A1POLBXDH
SCHEMBL10480235 0.79 GABRA1 (0.48) GABRA1GABRB2SRD5A1POLBXDH
SCHEMBL1194767 0.79 GABRA1 (0.47) GABRA1GABRB2SRD5A1POLBXDH
SCHEMBL4012043 0.79 GABRA1 (0.52) GABRA1GABRB2SRD5A1POLBXDH
SCHEMBL7943871 0.79 GABRA1 (0.52) GABRA1GABRB2SRD5A1POLBXDH

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-0106355-B1 ANODIC ELECTRODEPOSITION OF CHARGED AQUEOUS POWDER SLURRY E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-10-15 EP claimed
US-4188312-A Surface-coating binders and their use for cathodic electrocoating BASF AKTIENGESELLSCHAFT (DE) 1980-02-12 US disclosed