SCHEMBL19695943

SCHEMBL19695943

O=C(/C=C/c1ccc(OC(F)(F)C(F)F)cc1)Nc1ccccc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 9/20 0.67
▸ TRPM8 Q7Z2W7 5/20 0.67
▸ NPC1 O15118 4/20 0.67
▸ RAB9A P51151 4/20 0.67
▸ MEN1 O00255 3/20 0.67
▸ KMT2A Q03164 3/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.67
▸ MAPT P10636 1/20 0.67
▸ TRPM2 O94759 5/20 0.62
▸ LTB4R Q15722 1/20 0.62
▸ CYP3A4 P08684 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ TP53 P04637 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ HIF1A Q16665 2/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.55

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
SCHEMBL6517921 0.81 TRPA1 (1.00) TRPA1TRPM8NPC1RAB9AMEN1
SCHEMBL6517926 0.81 TRPA1 (1.00) TRPA1TRPM8NPC1RAB9AMEN1
SCHEMBL2849664 0.81 TRPA1 (1.00) TRPA1TRPM8NPC1RAB9AMEN1
SCHEMBL2849668 0.81 TRPA1 (1.00) TRPA1TRPM8NPC1RAB9AMEN1
SCHEMBL294402 0.80 TRPM2 (0.83) TRPA1TRPM8NPC1RAB9AMEN1
SCHEMBL294403 0.80 TRPM2 (0.83) TRPA1TRPM8NPC1RAB9AMEN1
SCHEMBL2780698 0.79 TRPA1 (1.00) TRPA1TRPM8NPC1RAB9AMEN1
SCHEMBL2780699 0.79 TRPA1 (1.00) TRPA1TRPM8NPC1RAB9AMEN1
SCHEMBL29401064 0.79 TRPM2 (0.81) TRPA1TRPM8NPC1RAB9AMEN1
SCHEMBL2778920 0.79 TRPM2 (0.81) TRPA1TRPM8NPC1RAB9AMEN1

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
EP-3485883-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OccuRx Pty Ltd (AU) 2019-05-22 — — EP disclosed
US-9839640-B2 Methods of treating eye diseases associated with inflammation and vascular proliferation OCCURX PTY LTD (AU) 2017-12-12 — — US disclosed
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