SCHEMBL9680935

SCHEMBL9680935

CCCCOc1ccc(CCCC(=O)OC)cc1-c1cc(CCCC(=O)OC)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.53
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
MAPT P10636 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C8 P10632 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2B6 P20813 2/20 0.44
CYP2C19 P33261 2/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
ALOX5 P09917 2/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
IAPP P10997 1/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 1/20 0.41
CYP2E1 P05181 1/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL9358203 0.95 RXRA (0.54) RXRACNR1CNR2CYP1A2CYP3A4
SCHEMBL9358192 0.95 RXRA (0.54) RXRACNR1CNR2CYP1A2CYP3A4
SCHEMBL9680956 0.95 RXRA (0.48) RXRACNR1CNR2MAPTCYP1A2
SCHEMBL9680898 0.91 MAPT (0.47) RXRACNR1CNR2MAPTCYP1A2
SCHEMBL9681186 0.90 CNR1 (0.44) RXRACNR1CNR2MAPTCYP1A2
SCHEMBL8984878 0.90 PPARG (0.49) RXRACNR2MAPTPPARGPPARA
SCHEMBL8984886 0.89 MAPT (0.49) MAPTCYP1A2CYP3A4CYP2C19HDAC1
SCHEMBL9362344 0.87 HDAC1 (0.43) RXRAMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL9362113 0.86 GABRA1 (0.53) CYP1A2CYP3A4CYP2C8CYP2C9CYP2B6
SCHEMBL8984897 0.86 CNR1 (0.51) CNR1CNR2ALOX5TRPV1

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