SCHEMBL8102210

SCHEMBL8102210

CCOC(=O)COc1ccc(C=C(C#N)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CISD1 Q9NZ45 1/20 0.52
SLC16A3 O15427 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
SLC16A1 P53985 1/20 0.52
GPR35 Q9HC97 1/20 0.52
EGFR P00533 1/20 0.52
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 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
SCHEMBL8097340 0.90 ALDH1A1 (0.64) KDM4EALDH1A1GAANPSR1MAPT
SCHEMBL9361355 0.88 ALDH1A1 (0.59) KDM4EALDH1A1CISD1SLC16A3CYP3A4
SCHEMBL23572564 0.88 ALDH1A1 (0.59) KDM4EALDH1A1CISD1SLC16A3CYP3A4
SCHEMBL9361345 0.88 ALDH1A1 (0.59) KDM4EALDH1A1CISD1SLC16A3CYP3A4
SCHEMBL21637630 0.84 ALDH1A1 (0.55) KDM4EALDH1A1CISD1SLC16A3CYP3A4
SCHEMBL21625783 0.84 ALDH1A1 (0.55) KDM4EALDH1A1CISD1SLC16A3CYP3A4
SCHEMBL23572561 0.84 ALDH1A1 (0.55) KDM4EALDH1A1CISD1SLC16A3CYP3A4
SCHEMBL3111841 0.83 CISD1 (0.54) KDM4EALDH1A1CISD1SLC16A3CYP3A4
SCHEMBL9365514 0.82 CISD1 (0.56) KDM4EALDH1A1CISD1SLC16A3CYP3A4
SCHEMBL9360740 0.82 CISD1 (0.56) KDM4EALDH1A1CISD1SLC16A3CYP3A4

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-0991708-A1 POLYESTER CONTAINING BENZYLIDENE HAVING REDUCED FLUORESCENCE EASTMAN CHEMICAL COMPANY (US) 2000-04-12 EP disclosed
WO-1998058016-A1 POLYESTER CONTAINING BENZYLIDENE HAVING REDUCED FLUORESCENCE EASTMAN CHEMICAL COMPANY (US) 1998-12-23 WO disclosed