SCHEMBL9823849

SCHEMBL9823849

CCCC(c1ccccc1OC)n1cncc1OC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
MC4R P32245 1/20 0.37
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ABCB11 O95342 1/20 0.37
GABRA2 P47869 1/20 0.37
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL9823513 0.87 GABRA1 (0.40) MC4RPOLBCYP1A2CYP3A4GABRA1
SCHEMBL9823850 0.86 CYP1A2 (0.37) MC4RCYP1A2CYP3A4GABRA1GABRB2
SCHEMBL9823451 0.84 ALDH1A1 (0.49) SMN1; SMN2MC4RPOLBNPSR1HTT
SCHEMBL9823631 0.81 MAPK1 (0.52) SMN1; SMN2MC4RPOLBNPSR1HTT
SCHEMBL9823910 0.76 OPRM1 (0.39) MC4RNPSR1CYP1A2CYP3A4GABRA1
SCHEMBL11332342 0.69 ALDH1A1 (0.47) SMN1; SMN2CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL9823378 0.69 ALDH1A1 (0.51) SMN1; SMN2MC4RCYP1A2CYP3A4GABRA1
SCHEMBL9823554 0.69 MAPK1 (0.52) MC4RCYP1A2CYP3A4GABRA1GABRB2
SCHEMBL9823727 0.69 SMN1; SMN2 (0.41) SMN1; SMN2POLBNPSR1HTTL3MBTL1
SCHEMBL9823393 0.68 ALDH1A1 (0.50) MC4RNPSR1HTTCYP1A2CYP3A4

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