SCHEMBL14647018

SCHEMBL14647018

Cc1cc(C(C)NC(=O)CC(=O)Nc2ccc(N)cc2)ccc1Oc1cccc(CO)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F7 P08709 8/20 0.39
F2 P00734 6/20 0.39
FFAR1 O14842 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MTNR1B P49286 1/20 0.37
P2RX4 Q99571 2/20 0.37
HCRTR1 O43613 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
LTA4H P09960 2/20 0.36

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
SCHEMBL860435 0.81 F7 (0.51) F7F2
SCHEMBL840797 0.80 FFAR1 (0.40) F7F2FFAR1RAB9A
SCHEMBL860262 0.79 F7 (0.41) F7F2RAB9ANPC1
SCHEMBL840788 0.79 F7 (0.42) F7F2
Trifluoroacetic Acid SCHEMBL841565 0.76 F7 (0.48) F7F2
SCHEMBL8097362 0.71 MTNR1B (0.34) FFAR1RAB9ANPC1MTNR1BLTA4H
SCHEMBL860820 0.66 F7 (0.49) F7F2
SCHEMBL10452967 0.66 MAOB (0.46)
SCHEMBL24075754 0.64 RNF4 (0.69) FFAR1RAB9ANPC1MTNR1B
SCHEMBL1745696 0.64 FFAR1 (0.54) FFAR1RAB9ANPC1LTA4H

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-2176223-B1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI SA (FR) 2013-01-23 EP disclosed