SCHEMBL2840850

SCHEMBL2840850

O=C(O)C=CCN1CCOCCOCCOCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 3/20 0.46
GLA P06280 1/20 0.44
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL2840849 1.00 HSD17B10 (0.52) HSD17B10KDM4EGLAALOX15TSHR
SCHEMBL2978048 0.98 HSD17B10 (0.48) HSD17B10KDM4EGLAALOX15TSHR
SCHEMBL1502275 0.98 HSD17B10 (0.48) HSD17B10KDM4EGLAALOX15TSHR
Hydrochloric Acid SCHEMBL20839693 0.96 GLA (0.48) HSD17B10KDM4EGLAALOX15TSHR
Hydrochloric Acid SCHEMBL27001777 0.96 GLA (0.48) HSD17B10KDM4EGLAALOX15TSHR
SCHEMBL23074882 0.81 KDM4E (0.52) HSD17B10KDM4EGLAALOX15TSHR
SCHEMBL14165793 0.81 KDM4E (0.42) HSD17B10KDM4EGLAALOX15TSHR
SCHEMBL14165795 0.81 KDM4E (0.42) HSD17B10KDM4EGLAALOX15TSHR
SCHEMBL2228544 0.81 KDM4E (0.42) HSD17B10KDM4EGLAALOX15TSHR
SCHEMBL2228548 0.81 KDM4E (0.42) HSD17B10KDM4EGLAALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253620-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2010-11-24 EP claimed
EP-1117649-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP claimed
WO-2000018740-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO claimed
EP-2896612-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings LLC (US) 2015-07-22 EP disclosed
EP-2253620-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH HOLDINGS LLC (US) 2014-03-12 EP disclosed
EP-2253620-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2010-11-24 EP disclosed
EP-1950201-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2008-07-30 EP disclosed
EP-1117649-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP disclosed
WO-2000018740-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO disclosed