SCHEMBL9756691

SCHEMBL9756691

CC(C)OC(=O)/C=C/c1cc(N)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
AKR1B10 O60218 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
AKR1B1 P15121 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
XPO1 O14980 5/20 0.41
MAOB P27338 1/20 0.39
PTGDR Q13258 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
CYP3A4 P08684 1/20 0.34
TSHR P16473 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
SCHEMBL9756693 1.00 CA12 (0.47) CA12AKR1B10CA1CA2AKR1B1
SCHEMBL7931283 0.90 MAOB (0.38) CA12AKR1B10CA1CA2AKR1B1
SCHEMBL6159837 0.84 ALDH1A1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL6159834 0.84 ALDH1A1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL19920620 0.81 MAOB (0.32) CA12AKR1B10CA1CA2AKR1B1
SCHEMBL10418844 0.81 CA12 (0.41) CA12AKR1B10CA1CA2AKR1B1
SCHEMBL10418843 0.81 CA12 (0.41) CA12AKR1B10CA1CA2AKR1B1
SCHEMBL4678281 0.80 TTR (0.47) CA12CA1CA2CA7CA9
SCHEMBL4678277 0.80 TTR (0.47) CA12CA1CA2CA7CA9
SCHEMBL9756703 0.80 CYP1A2 (0.53) CA12AKR1B10CA1CA2AKR1B1

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