SCHEMBL8964980

SCHEMBL8964980

O=C(OCCO)c1cc([Na])cc(C(=O)OS(=O)(=O)O)c1CCO

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SERPINE1 P05121 1/20 0.33
TSHR P16473 1/20 0.30

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
SCHEMBL483848 0.78 ALDH1A1 (0.38) KDM4EALDH1A1GLAHPGDCASP1
SCHEMBL6928648 0.73 ALDH1A1 (0.39) KDM4EALDH1A1GLAHPGDCASP1
SCHEMBL8470113 0.73 ALDH1A1 (0.39) KDM4EALDH1A1GLAHPGDCASP1
SCHEMBL8965135 0.72 SERPINE1 (0.33) SERPINE1
SCHEMBL8908710 0.71 GAA (0.35) KDM4EALDH1A1GLAHPGDCASP1
SCHEMBL20588891 0.70 SERPINE1 (0.47) KDM4EALDH1A1GLAHPGDCASP1
SCHEMBL7932169 0.69 LMNA (0.35) KDM4EALDH1A1GLAHPGDCASP1
SCHEMBL7131382 0.69 SERPINE1 (0.44) KDM4EALDH1A1GLAHPGDCASP1
SCHEMBL29540297 0.66 ALDH1A1 (0.55) KDM4EALDH1A1GLAHPGDHSD17B10
SCHEMBL10416592 0.66 TSHR (0.45) KDM4EALDH1A1GLAHPGDHSD17B10

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-0605603-B1 WATER-DISPERSIBLE POLYESTER RESINS AND PROCESS FOR THEIR PREPARATION EASTMAN CHEM CO (US) 1996-02-28 EP claimed
EP-0605603-A1 WATER-DISPERSIBLE POLYESTER RESINS AND PROCESS FOR THEIR PREPARATION. EASTMAN CHEM CO (US) 1994-07-13 EP claimed
WO-1993006149-A1 WATER-DISPERSIBLE POLYESTER RESINS AND PROCESS FOR THEIR PREPARATION EASTMAN CHEMICAL COMPANY (US) 1993-04-01 WO claimed