SCHEMBL9756705

SCHEMBL9756705

CC(C)OC(=O)C=Cc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 1/20 0.43
AKR1B10 O60218 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
AKR1B1 P15121 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
POLB P06746 4/20 0.42
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 3/20 0.41
ALDH1A1 P00352 3/20 0.41

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
SCHEMBL9756703 1.00 CYP1A2 (0.53) CYP1A2CYP2D6KMT2AMAPTMEN1
SCHEMBL6983075 0.85 CYP1A2 (0.56) CYP1A2CYP2D6KMT2AMAPTMEN1
SCHEMBL6983081 0.85 CYP1A2 (0.56) CYP1A2CYP2D6KMT2AMAPTMEN1
SCHEMBL10665624 0.84 ALDH1A1 (0.48) CYP1A2CYP2D6KMT2AMAPTMEN1
SCHEMBL19916117 0.82 CYP1A2 (0.44) CYP1A2CYP2D6KMT2AMAPTMEN1
SCHEMBL6639628 0.82 CYP1A2 (0.53) CYP1A2CYP2D6KMT2AMAPTMEN1
SCHEMBL6809200 0.82 CYP1A2 (0.53) CYP1A2CYP2D6KMT2AMAPTMEN1
SCHEMBL9756693 0.80 CA12 (0.47) KMT2AMAPTMEN1HSD17B10CA12
SCHEMBL9756691 0.80 CA12 (0.47) KMT2AMAPTMEN1HSD17B10CA12
SCHEMBL19244218 0.79 CA12 (0.65) KMT2AMAPTMEN1CA12AKR1B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991011442-A1 HERBICIDAL CINNAMIC ESTER URACILS UNIROYAL CHEMICAL LTD./UNIROYAL CHEMICAL LTEE (CA) 1991-08-08 WO disclosed
US-4979982-A Herbicidal cinnamic ester uracils UNIROYAL CHEMICAL COMPANY, INC. (US) 1990-12-25 US disclosed