SCHEMBL10694757

SCHEMBL10694757

CCC(C)OC(=O)/C=C/c1ccc(Oc2ccc(-c3ccc(Cl)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.49
XPO1 O14980 1/20 0.45
HDAC2 Q92769 1/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
CA12 O43570 1/20 0.44
AKR1B10 O60218 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
AKR1B1 P15121 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAOA P21397 1/20 0.43
MMP1 P03956 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL10694760 1.00 MAOB (0.49) MAOBXPO1HDAC2NOS3NOS1
SCHEMBL19244342 0.90 CA12 (0.53) MAOBNOS3NOS1NOS2CA12
SCHEMBL19244341 0.90 CA12 (0.53) MAOBNOS3NOS1NOS2CA12
SCHEMBL19244269 0.82 MAPT (0.53) HDAC2CA12AKR1B10CA1CA2
SCHEMBL19244268 0.82 MAPT (0.53) HDAC2CA12AKR1B10CA1CA2
SCHEMBL19244435 0.80 TDP1 (0.60) MAOBHDAC2CA12AKR1B10CA1
SCHEMBL19244210 0.80 HDAC1 (0.52) HDAC2CA12AKR1B10CA1CA2
SCHEMBL19244211 0.80 HDAC1 (0.52) HDAC2CA12AKR1B10CA1CA2
SCHEMBL19244201 0.80 TAS1R3 (0.63) MAOBCA12AKR1B10CA1CA2
SCHEMBL19244202 0.80 TAS1R3 (0.63) MAOBCA12AKR1B10CA1CA2

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
US-4748185-A RODENTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-05-31 US disclosed