SCHEMBL5885102

SCHEMBL5885102

CCOC(=O)c1cc(-c2cccc(OC)c2)c(C(=O)OCC)cc1-c1cccc(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
KDM4E B2RXH2 5/20 0.59
CSNK1D P48730 1/20 0.52
PPARG P37231 3/20 0.50
HPGD P15428 6/20 0.49
HSD17B10 Q99714 4/20 0.49
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.49
PTPN1 P18031 1/20 0.47
GAA P10253 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 4/20 0.47
MAOB P27338 2/20 0.47
LMNA P02545 1/20 0.47
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL7710797 0.89 ALDH1A1 (0.57) ALDH1A1KDM4ECSNK1DPPARGHPGD
SCHEMBL7334636 0.83 ALDH1A1 (0.57) ALDH1A1KDM4ECSNK1DHPGDHSD17B10
SCHEMBL28802582 0.83 SMN1; SMN2 (0.52) ALDH1A1KDM4EPPARGHPGDTP53
SCHEMBL4830396 0.81 TSHR (0.63) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL10362785 0.81 KDM4E (0.65) ALDH1A1KDM4ECSNK1DPPARGHPGD
SCHEMBL381894 0.80 ALDH1A1 (0.54) ALDH1A1KDM4ECSNK1DPPARGHPGD
SCHEMBL14007356 0.80 ALDH1A1 (0.56) ALDH1A1KDM4EPPARGHPGDTP53
SCHEMBL381031 0.80 ALDH1A1 (0.54) ALDH1A1KDM4ECSNK1DHPGDHSD17B10
SCHEMBL380970 0.80 ALDH1A1 (0.54) ALDH1A1KDM4ECSNK1DHPGDHSD17B10
SCHEMBL5943816 0.79 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2MAPTRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041388-B1 Substituted poly(arylene vinylenes), process for their preparation and their use in electroluminescent devices SEMICONDUCTORS GMBH (DE) 2006-05-09 US disclosed
EP-1232225-B1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN ELECTROLUMINESCENT DEVICES COVION ORGANIC SEMICONDUCTORS (DE) 2004-12-01 EP disclosed
EP-1232225-A1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN ELECTROLUMINESCENT DEVICES Covion Organic Semiconductors GmbH (DE) 2002-08-21 EP disclosed
WO-2001034722-A1 SUBSTITUTED POLY(ARYLENE VINYLENES), METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN ELECTROLUMINESCENT DEVICES COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2001-05-17 WO disclosed