SCHEMBL14366353

SCHEMBL14366353

Cc1cccc(C(=O)CCCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 1/20 0.47
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
POLB P06746 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
BRD4 O60885 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 3/20 0.43
CA9 Q16790 3/20 0.43
NQO2 P16083 1/20 0.42
MAOA P21397 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
SCHEMBL16079979 0.91 CTNNB1 (0.49) MAPTATMCTNNB1WNT3ACA1
SCHEMBL14679384 0.87 NPC1 (0.54) MAPTATMTDP1POLBHDAC3
SCHEMBL10322699 0.85 L3MBTL1 (0.53) MAPTTDP1CYP3A4CA1CA2
SCHEMBL17410238 0.85 CA1 (0.48) TDP1CYP3A4CA1CA2BRD4
SCHEMBL14679385 0.85 NPC1 (0.54) MAPTATMPOLBHDAC3HDAC1
SCHEMBL24365180 0.84 HDAC3 (0.47) MAPTTDP1CYP3A4CA1CA2
SCHEMBL29477839 0.84 HDAC3 (0.47) MAPTTDP1CYP3A4CA1CA2
SCHEMBL21509871 0.83 CTNNB1 (0.45) MAPTATMCTNNB1WNT3APOLB
SCHEMBL2241024 0.82 CA1 (0.48) MAPTTDP1CYP3A4CTNNB1WNT3A
SCHEMBL14679371 0.82 NPC1 (0.57) ATMPOLBKDM4E

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-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO disclosed