SCHEMBL9754628

SCHEMBL9754628

COc1nc(OC)nc(Oc2cccc(-c3ccc(Cl)cc3)c2C(=O)OCc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.43
CNR1 P21554 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PRKCZ Q05513 2/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GCGR P47871 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9682835 0.85 KMT2A (0.43) DHODHALDH1A1SMN1; SMN2NPSR1SLC6A3
SCHEMBL9754474 0.84 CYP2C9 (0.44) DHODHATMCYP1A2CYP2C9CYP2C19
SCHEMBL9615079 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2ATMCYP1A2CYP2C9
SCHEMBL9132567 0.82 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL9754362 0.80 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2ATMCYP1A2CYP2C9
SCHEMBL10534108 0.79 CYP1A2 (0.59) ALDH1A1SMN1; SMN2ATMCYP1A2CYP2C9
SCHEMBL9412143 0.78 CYP1A2 (0.48) ALDH1A1SMN1; SMN2ATMCYP1A2CYP2C9
SCHEMBL8897258 0.77 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL9754469 0.77 TDP1 (0.51) DHODHALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9193808 0.76 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2ATMCYP1A2CYP2C9

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
WO-1991013065-A1 6-ARYL-2-SUBSTITUTED BENZOIC ACID HERBICIDES FMC CORPORATION (US) 1991-09-05 WO disclosed