SCHEMBL4423398

SCHEMBL4423398

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 5/20 0.36
OPRD1 P41143 2/20 0.34
OPRM1 P35372 1/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGD P15428 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
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
SCHEMBL4421850 0.87 MLYCD (0.37) MLYCDOPRD1TSHRALDH1A1HSD17B10
SCHEMBL4418396 0.83 OPRD1 (0.40) MLYCDOPRD1OPRM1TSHRALDH1A1
SCHEMBL3102250 0.81 OPRD1 (0.40) MLYCDOPRD1OPRM1TSHRALDH1A1
SCHEMBL4551014 0.79 CHRNA7 (0.45) MLYCDOPRD1OPRM1TSHRALDH1A1
SCHEMBL13999298 0.77 OPRD1 (0.41) MLYCDOPRD1OPRM1TSHRALDH1A1
SCHEMBL4418946 0.77 MLYCD (0.33) MLYCDOPRD1TSHRALDH1A1HSD17B10
SCHEMBL3671967 0.76 OPRD1 (0.48) MLYCDOPRD1OPRM1TSHRALDH1A1
SCHEMBL537689 0.76 PTPN5 (0.38) MLYCDTSHRALDH1A1HSD17B10HPGD
SCHEMBL4417620 0.75 OPRD1 (0.46) MLYCDOPRD1OPRM1TSHRALDH1A1
SCHEMBL4420951 0.75 PHLPP2 (0.46) TSHRALDH1A1SLC6A3

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 3 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
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