SCHEMBL21024873

SCHEMBL21024873

COc1cc(/C=C/C(=O)Nc2ccccc2C)cc(OC)c1OC(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.60
ALDH1A1 P00352 5/20 0.60
CYP3A4 P08684 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
HPGD P15428 4/20 0.59
NPSR1 Q6W5P4 2/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
MMP1 P03956 7/20 0.56
MMP2 P08253 7/20 0.56
MMP9 P14780 7/20 0.56
EGFR P00533 2/20 0.56
KDM1A O60341 2/20 0.53
HTT P42858 2/20 0.52
PKM P14618 2/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 2/20 0.52
MEN1 O00255 2/20 0.51
TP53 P04637 2/20 0.51

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
SCHEMBL21025307 0.93 MMP1 (0.59) KDM4EALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL13352118 0.88 ALDH1A1 (0.74) KDM4EALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL26215467 0.88 PKM (0.62) KDM4EALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL15417392 0.87 ALDH1A1 (0.69) KDM4EALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL21025305 0.84 MMP1 (0.61) KDM4EALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL297188 0.81 MEN1 (0.74) KDM4EALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL13352016 0.81 MEN1 (0.74) KDM4EALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL13352117 0.81 MMP1 (0.67) KDM4EALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL13352119 0.81 KDM1A (0.68) KDM4EALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL13352028 0.79 KDM1A (0.82) KDM4EALDH1A1CYP3A4CYP1A2CYP2C19

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