SCHEMBL21025307

SCHEMBL21025307

Cc1ccccc1NC(=O)/C=C/c1cc(OC(F)F)c(OC(F)F)c(OC(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.59
MMP2 P08253 6/20 0.59
MMP9 P14780 6/20 0.59
EGFR P00533 2/20 0.59
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 5/20 0.51
CYP3A4 P08684 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
HPGD P15428 4/20 0.50
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM1A O60341 2/20 0.47
MAPK1 P28482 2/20 0.46
PKM P14618 2/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL21024873 0.93 KDM4E (0.60) MMP1MMP2MMP9EGFRKDM4E
SCHEMBL21025305 0.88 MMP1 (0.61) MMP1MMP2MMP9EGFRKDM4E
SCHEMBL26215467 0.85 PKM (0.62) MMP1MMP2MMP9EGFRKDM4E
SCHEMBL15417359 0.85 ALDH1A1 (0.60) KDM4EALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL17565743 0.85 ALDH1A1 (0.47) MMP1MMP2MMP9EGFRKDM4E
SCHEMBL13352118 0.81 ALDH1A1 (0.74) MMP1MMP2MMP9EGFRKDM4E
SCHEMBL110022 0.80 ALDH1A1 (0.60) MMP1MMP2MMP9EGFRKDM4E
SCHEMBL15417392 0.80 ALDH1A1 (0.69) MMP1MMP2MMP9EGFRKDM4E
SCHEMBL13352016 0.76 MEN1 (0.74) MMP1MMP2MMP9EGFRKDM4E
SCHEMBL297188 0.76 MEN1 (0.74) MMP1MMP2MMP9EGFRKDM4E

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-3485883-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OccuRx Pty Ltd (AU) 2019-05-22 EP disclosed