SCHEMBL7113286

SCHEMBL7113286

CNc1ccc(Oc2cccc(C(=O)O)n2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
P2RX3 P56373 8/20 0.44
SCN9A Q15858 1/20 0.40
BRAF P15056 3/20 0.40
KDR P35968 3/20 0.40
MAPK14 Q16539 3/20 0.40
TNNI3K Q59H18 3/20 0.40
APP P05067 1/20 0.40
RAF1 P04049 2/20 0.39
MAPK3 P27361 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
HSD17B14 Q9BPX1 1/20 0.38
MAPK10 P53779 1/20 0.37

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
SCHEMBL8074441 0.88 MAPT (0.49) MAPTP2RX3SCN9ABRAFKDR
SCHEMBL7108276 0.84 MAPT (0.52) MAPTP2RX3SCN9AKDRMRGPRX4
SCHEMBL7111276 0.82 MAPT (0.53) MAPTP2RX3SCN9ABRAFMRGPRX4
SCHEMBL7108378 0.82 MAPT (0.49) MAPTP2RX3SCN9AKDRRAF1
SCHEMBL7110923 0.81 MAPT (0.49) MAPTP2RX3SCN9AMRGPRX4HSD17B14
SCHEMBL7107327 0.81 MAPT (0.49) MAPTP2RX3SCN9ABRAFKDR
SCHEMBL7105794 0.78 MRGPRX4 (0.53) MAPTP2RX3SCN9AMRGPRX4HSD17B14
SCHEMBL8069624 0.77 MAPT (0.47) MAPTP2RX3SCN9ABRAFKDR
SCHEMBL7108325 0.76 MAPT (0.44) MAPTP2RX3MRGPRX4HSD17B14
SCHEMBL7110619 0.76 MAPT (0.74) MAPTMRGPRX4HSD17B14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0949248-B1 6-(NONSUBSTITUTED OR SUBSTITUTED) PHENOXYPICOLINIC ACIDS, PROCESS OF PREPARING THE SAME, AND AGRICULTURAL/HORTICULTURAL GERMICIDES CONTAINING THE SAME KUREHA CHEMICAL IND CO LTD (JP) 2003-10-08 EP disclosed
US-6200933-B1 LOW TOXICITY TO HUMANS AND CATTLE KUREHA KAGAKU KABUSHIKI KAISHA (JP) 2001-03-13 US disclosed
EP-0949248-A1 6-(NONSUBSTITUTED OR SUBSTITUTED) PHENOXYPICOLINIC ACIDS, PROCESS OF PREPARING THE SAME, AND AGRICULTURAL/HORTICULTURAL GERMICIDES CONTAINING THE SAME KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1999-10-13 EP disclosed