SCHEMBL9823288

SCHEMBL9823288

CCCC(c1cccc(Cl)c1)n1cncc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
OPRM1 P35372 9/20 0.43
OPRK1 P41145 9/20 0.43
OPRD1 P41143 8/20 0.43
OPRL1 P41146 8/20 0.43
GABRA1 P14867 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
GABRB2 P47870 2/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ABCB11 O95342 1/20 0.42
GABRA2 P47869 1/20 0.42
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL9823588 0.88 MAPK1 (0.52) ALDH1A1TDP1OPRM1OPRK1OPRD1
SCHEMBL9823910 0.83 OPRM1 (0.39) ALDH1A1TDP1OPRM1OPRK1OPRD1
SCHEMBL30357865 0.82 ALDH1A1 (0.40) ALDH1A1TDP1OPRM1OPRK1GABRA1
SCHEMBL9823393 0.79 ALDH1A1 (0.50) ALDH1A1TDP1GABRA1CYP1A2CYP3A4
SCHEMBL9823378 0.75 ALDH1A1 (0.51) ALDH1A1TDP1GABRA1CYP1A2CYP3A4
SCHEMBL27262999 0.74 MAPK1 (0.52) GABRA1CYP1A2CYP3A4GABRB2CYP11B1
SCHEMBL30357850 0.74 ALDH1A1 (0.43) ALDH1A1TDP1GABRA1CYP1A2CYP3A4
SCHEMBL9823451 0.73 ALDH1A1 (0.49) ALDH1A1TDP1GABRA1CYP1A2CYP3A4
SCHEMBL30357912 0.73 ALDH1A1 (0.43) ALDH1A1TDP1GABRA1CYP1A2CYP3A4
SCHEMBL30357879 0.71 MAPK1 (0.41) ALDH1A1TDP1GABRA1CYP1A2CYP3A4

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 6 patents. 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
US-4770689-A TRANSPLANTED RICE AND MAIZE CROPS JANSSEN PHARMACEUTICA N.V. (BE) 1988-09-13 US claimed
EP-0240050-A1 A method for controlling weeds JANSSEN PHARMACEUTICA N.V. (BE) 1987-10-07 EP claimed
EP-0240050-B1 A METHOD FOR CONTROLLING WEEDS JANSSEN PHARMACEUTICA N.V. (BE) 1991-06-26 EP disclosed
US-4770689-A TRANSPLANTED RICE AND MAIZE CROPS JANSSEN PHARMACEUTICA N.V. (BE) 1988-09-13 US disclosed
EP-0240050-A1 A method for controlling weeds JANSSEN PHARMACEUTICA N.V. (BE) 1987-10-07 EP disclosed