SCHEMBL15417359

SCHEMBL15417359

O=C(/C=C/c1cc(OC(F)F)c(OC(F)F)c(OC(F)F)c1)Nc1ccccc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
KDM4E B2RXH2 5/20 0.60
HPGD P15428 4/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
CYP3A4 P08684 3/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
TP53 P04637 2/20 0.60
HIF1A Q16665 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
APEX1 P27695 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP2C9 P11712 1/20 0.60
HSD17B10 Q99714 1/20 0.60
ABCC4 O15439 1/20 0.60
HPGDS O60760 1/20 0.60
ABCB11 O95342 1/20 0.60

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
SCHEMBL15417392 0.92 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL15417358 0.89 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL110022 0.88 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL21025307 0.85 MMP1 (0.59) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL30377355 0.85 MEN1 (0.82) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL29008942 0.85 MEN1 (0.82) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL30263637 0.85 MEN1 (0.82) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL15417362 0.85 MEN1 (0.82) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL17565743 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL15417390 0.83 TRPA1 (0.57) ALDH1A1KDM4EHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3485883-B1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OCCURX PTY LTD (AU) 2020-08-26 EP disclosed
EP-3485883-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OccuRx Pty Ltd (AU) 2019-05-22 EP disclosed
EP-3045170-B1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2018-07-04 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
EP-3045170-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS Fibrotech Therapeutics PTY LTD (AU) 2016-07-20 EP disclosed
EP-2220028-B1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2016-03-09 EP disclosed
US-8624056-B2 Halogenated analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD 2014-01-07 US disclosed