SCHEMBL9681186

SCHEMBL9681186

CCOc1ccc(CCCC(=O)OC)cc1-c1cc(CCCC(=O)OC)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
RXRA P19793 1/20 0.43
ALOX5 P09917 2/20 0.42
OR51E2 Q9H255 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
GABRA1 P14867 5/20 0.41
GABRB2 P47870 5/20 0.41
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
CALM1 P0DP23 1/20 0.40

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
SCHEMBL8984875 0.94 MAPT (0.45) GABRA1GABRB2MAPTCYP3A4CYP2C9
SCHEMBL9680935 0.90 RXRA (0.53) CNR1CNR2RXRAALOX5GABRA1
SCHEMBL9680956 0.90 RXRA (0.48) CNR1CNR2RXRAALOX5OR51E2
SCHEMBL9362113 0.88 GABRA1 (0.53) ALOX5OR51E2MTNR1AMTNR1BGABRA1
SCHEMBL9358192 0.88 RXRA (0.54) CNR1CNR2RXRACYP1A2CYP3A4
SCHEMBL9358203 0.88 RXRA (0.54) CNR1CNR2RXRACYP1A2CYP3A4
SCHEMBL8984897 0.88 CNR1 (0.51) CNR1CNR2ALOX5OR51E2MTNR1A
SCHEMBL9680898 0.88 MAPT (0.47) CNR1CNR2RXRAALOX5OR51E2
SCHEMBL9362344 0.85 HDAC1 (0.43) RXRAALOX5OR51E2MTNR1AMTNR1B
SCHEMBL8984886 0.83 MAPT (0.49) MTNR1AMTNR1BMAPTCYP1A2CYP3A4

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
EP-0470832-A2 Biphenyl 5,5'-bis-alkanoic acid derivatives, their production and use thereof ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1992-02-12 EP disclosed