SCHEMBL9508488

SCHEMBL9508488

COc1cc(/C=C(\C#N)C=O)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.68
ALDH1A1 P00352 2/20 0.59
TRIM24 O15164 1/20 0.59
HPGD P15428 1/20 0.59
ALDH5A1 P51649 1/20 0.59
ABAT P80404 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
TRIM33 Q9UPN9 1/20 0.59
MAPT P10636 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
IGF1R P08069 1/20 0.54
IGF2R P11717 1/20 0.54
KLK7 P49862 2/20 0.54
XDH P47989 1/20 0.54
CSNK2A1 P68400 2/20 0.53
KLK14 Q9P0G3 1/20 0.53
KLK5 Q9Y337 1/20 0.53
TRPA1 O75762 1/20 0.51
ABL1 P00519 1/20 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
SCHEMBL9508495 1.00 EGFR (0.68) EGFRALDH1A1TRIM24HPGDALDH5A1
SCHEMBL11549693 0.88 CYP1A2 (0.62) EGFRALDH1A1HPGDTDP1MAPT
SCHEMBL11549689 0.88 CYP1A2 (0.62) EGFRALDH1A1HPGDTDP1MAPT
SCHEMBL9124369 0.83 EGFR (0.58) EGFRALDH1A1HPGDTDP1MAPT
SCHEMBL9124372 0.83 EGFR (0.58) EGFRALDH1A1HPGDTDP1MAPT
SCHEMBL8743696 0.81 EGFR (1.00) EGFRALDH1A1TRIM24HPGDALDH5A1
SCHEMBL10280982 0.80 EGFR (0.45) EGFRALDH1A1HPGDTDP1MAPT
SCHEMBL11549421 0.80 NQO1 (0.54) EGFRALDH1A1HPGDTDP1MAPT
SCHEMBL11549417 0.80 NQO1 (0.54) EGFRALDH1A1HPGDTDP1MAPT
SCHEMBL6331872 0.80 ALDH1A1 (0.69) EGFRALDH1A1TRIM24HPGDALDH5A1

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-3485883-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OccuRx Pty Ltd (AU) 2019-05-22 EP disclosed
EP-0555465-A1 RADIOGRAPHIC ELEMENT EASTMAN KODAK COMPANY (US) 1993-08-18 EP disclosed
WO-1993005444-A1 RADIOGRAPHIC ELEMENT EASTMAN KODAK COMPANY (US) 1993-03-18 WO disclosed