SCHEMBL9823378

SCHEMBL9823378

CCCC(c1ccccc1C)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
GABRA1 P14867 5/20 0.44
GABRB2 P47870 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ABCB11 O95342 1/20 0.44
GABRA2 P47869 1/20 0.44
MAPK1 P28482 1/20 0.38
CYP19A1 P11511 2/20 0.38
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CYP17A1 P05093 1/20 0.34
MC4R P32245 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
SCHEMBL9823554 0.87 MAPK1 (0.52) ALDH1A1TDP1GABRA1GABRB2CYP1A2
SCHEMBL9823393 0.86 ALDH1A1 (0.50) ALDH1A1TDP1GABRA1GABRB2CYP1A2
SCHEMBL9823451 0.85 ALDH1A1 (0.49) ALDH1A1TDP1GABRA1GABRB2CYP1A2
SCHEMBL9823513 0.82 GABRA1 (0.40) ALDH1A1TDP1GABRA1GABRB2CYP1A2
SCHEMBL9823775 0.78 CTSA (0.34) ALDH1A1TDP1CYP1A2CYP3A4CYP2C9
SCHEMBL9823288 0.75 ALDH1A1 (0.51) ALDH1A1TDP1GABRA1GABRB2CYP1A2
SCHEMBL9823631 0.75 MAPK1 (0.52) ALDH1A1TDP1GABRA1GABRB2CYP1A2
SCHEMBL9823414 0.74 MAPK1 (0.51) ALDH1A1TDP1GABRA1GABRB2CYP1A2
Water SCHEMBL9823540 0.74 GABRA1 (0.37) ALDH1A1TDP1GABRA1GABRB2CYP1A2
SCHEMBL27263854 0.72 MAPK1 (0.49) ALDH1A1TDP1GABRA1GABRB2CYP1A2

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