SCHEMBL4417684

SCHEMBL4417684

C=CCC(CC)(C(=O)c1ccc(C(O)c2ccc(C(=O)C(CC)(CC=C)N(C)C)cc2)cc1)N(C)C

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.31
OPRD1 P41143 3/20 0.31
MLYCD O95822 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
SRD5A2 P31213 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
SCHEMBL11896656 0.83 MLYCD (0.32) MLYCD
SCHEMBL3424272 0.83 CYP1A2 (0.39) MLYCD
SCHEMBL8899051 0.83 TSHR (0.41)
SCHEMBL4423433 0.82 MLYCD (0.34) ELANEMLYCDSRD5A2
SCHEMBL8898609 0.81 ALDH1A1 (0.37) OPRD1TAS1R3TAS1R1OPRM1
SCHEMBL9063914 0.81 SMN1; SMN2 (0.34)
SCHEMBL8898907 0.81 PKM (0.46)
SCHEMBL8896952 0.80 GSR (0.43)
SCHEMBL13310001 0.78 EGFR (0.34) MLYCD
SCHEMBL3428089 0.78 L3MBTL1 (0.40) MLYCD

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