SCHEMBL4418946

SCHEMBL4418946

CC(CO)N(C)C(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 3/20 0.33
OPRD1 P41143 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HPGD P15428 1/20 0.31
USP5 P45974 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
SCHEMBL4551014 0.79 CHRNA7 (0.45) MLYCDOPRD1ALDH1A1TSHRHSD17B10
SCHEMBL5570012 0.78 ABCB11 (0.37) MLYCDUSP5
SCHEMBL3102250 0.78 OPRD1 (0.40) MLYCDOPRD1ALDH1A1TSHRHSD17B10
SCHEMBL4423398 0.77 MLYCD (0.36) MLYCDOPRD1ALDH1A1TSHRHSD17B10
SCHEMBL4425716 0.76 OPRD1 (0.38) MLYCDOPRD1ALDH1A1TSHRHSD17B10
SCHEMBL4429430 0.75 ACHE (0.35) OPRD1ALDH1A1HSD17B10HPGD
SCHEMBL4417620 0.75 OPRD1 (0.46) MLYCDOPRD1ALDH1A1TSHR
SCHEMBL4421850 0.75 MLYCD (0.37) MLYCDOPRD1ALDH1A1TSHRHSD17B10
SCHEMBL11931417 0.74 TSHR (0.37) MLYCDALDH1A1TSHRHSD17B10
SCHEMBL13999298 0.74 OPRD1 (0.41) MLYCDOPRD1ALDH1A1TSHRHSD17B10

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