SCHEMBL4427237

SCHEMBL4427237

CN(C)C(c1ccc(C(=O)C(C)(C)N(C)C)cc1)c1ccc(C(=O)C(C)(C)N(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.44
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
OPRD1 P41143 3/20 0.33
MLYCD O95822 5/20 0.32
OPRM1 P35372 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
LMNA P02545 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
CA2 P00918 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
SCHEMBL57807 0.84 CYP2C9 (0.44) ALDH1A1TSHRHSD17B10MAPTHPGD
SCHEMBL4421841 0.84 ELANE (0.43) ALDH1A1TSHRHSD17B10MLYCDMAPT
SCHEMBL4551014 0.84 CHRNA7 (0.45) CHRNA7ALDH1A1TSHRHSD17B10OPRD1
SCHEMBL4425679 0.79 ALDH1A1 (0.34) ALDH1A1TSHRHSD17B10MLYCDLMNA
SCHEMBL10947494 0.79 CES2 (0.44) ALDH1A1MLYCDMAPTHPGD
SCHEMBL10945414 0.79 HPGD (0.50) ALDH1A1MAPTHPGDLMNA
SCHEMBL58267 0.77 CA2 (0.50) ALDH1A1MAPTHPGDLMNAATM
SCHEMBL10384794 0.76 CES2 (0.46) ALDH1A1TSHRMAPTHPGDCA2
SCHEMBL4985655 0.76 PHLPP2 (0.42) ALDH1A1TSHRMAPTNR1H4LMNA
SCHEMBL10384774 0.76 CES2 (0.46) MAPTCA2

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-1620475-B1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2009-11-11 EP disclosed
US-7462650-B2 Trifunctional photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-09 US disclosed
US-20060270748-A1 Novel trifunctional photoinitiators IGM GROUP B.V. (NL) 2006-11-30 US disclosed
EP-1620475-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS Ciba SC Holding AG (CH) 2006-02-01 EP disclosed
WO-2004099262-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-11-18 WO disclosed