SCHEMBL8144809

SCHEMBL8144809

C=CCN(CC=C)CC(O)COCCOCC(O)CN(CC=C)CC=C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.34
USP2 O75604 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL4155298 0.92 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8155953 0.90 ALDH1A1 (0.35) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3076289 0.86 CA1 (0.55) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12403138 0.83 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3836004 0.80 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16062979 0.80 USP2 (0.33) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17703859 0.78 HIF1A (0.35) ALDH1A1CA1CA2CA7LMNA
SCHEMBL14666032 0.78 USP2 (0.35) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16062978 0.78 USP2 (0.35) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14666270 0.77 USP2 (0.34) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797972-B1 PROCESS FOR SUPERABSORBENT POLYMER AND CROSSLINKER COMPOSITION EVONIK CORP (US) 2016-09-21 EP disclosed
EP-1737899-B1 DENDRITIC POLYMERS WITH ENHANCED AMPLIFICATION AND INTERIOR FUNCTIONALITY DENDRITIC NANOTECHNOLOGIES INC (US) 2015-07-08 EP disclosed
EP-2385078-A1 Dendritic polymers with enhanced amplification and interior functionality Dendritic Nanotechnologies Inc. (US) 2011-11-09 EP disclosed
EP-2325236-A1 Dendritic polymers with enhanced amplification and interior functionality Dendritic Nanotechnologies Inc. (US) 2011-05-25 EP disclosed
US-6087450-A GRAFT POLYMERS WITH CROSSLINKING STOCKHAUSEN GMBH & CO., KG (DE) 2000-07-11 US disclosed