SCHEMBL9823910

SCHEMBL9823910

CCCC(c1cccc(Cl)c1)n1cncc1OC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.39
OPRK1 P41145 5/20 0.39
OPRD1 P41143 4/20 0.39
OPRL1 P41146 4/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
LMNA P02545 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ABCB11 O95342 1/20 0.38
GABRA2 P47869 1/20 0.38
ROCK2 O75116 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 2/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL9823288 0.83 ALDH1A1 (0.51) OPRM1OPRK1OPRD1OPRL1CYP1A2
SCHEMBL9823588 0.80 MAPK1 (0.52) OPRM1OPRK1OPRD1OPRL1CYP1A2
SCHEMBL9823850 0.80 CYP1A2 (0.37) CYP1A2CYP3A4GABRA1GABRB2CYP11B1
SCHEMBL9823513 0.76 GABRA1 (0.40) CYP1A2CYP3A4GABRA1GABRB2CYP11B1
SCHEMBL9823849 0.76 SMN1; SMN2 (0.38) CYP1A2CYP3A4GABRA1GABRB2CYP11B1
SCHEMBL11561139 0.72 CYP19A1 (0.45) CYP1A2CYP3A4GABRA1GABRB2CYP11B1
SCHEMBL11332342 0.70 ALDH1A1 (0.47) CYP1A2CYP3A4GABRA1GABRB2CYP11B1
SCHEMBL11565546 0.67 ALDH1A1 (0.44) OPRM1OPRK1OPRD1OPRL1CYP1A2
SCHEMBL30357865 0.67 ALDH1A1 (0.40) OPRM1OPRK1CYP1A2CYP3A4GABRA1
SCHEMBL5820507 0.66 MEN1 (0.60) OPRM1OPRK1OPRD1OPRL1LMNA

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-0240050-B1 A METHOD FOR CONTROLLING WEEDS JANSSEN PHARMACEUTICA N.V. (BE) 1991-06-26 EP claimed