SCHEMBL4414465

SCHEMBL4414465

COC(=O)CCNC(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 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
OPRD1 P41143 1/20 0.36
MAPT P10636 3/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 2/20 0.34
GAA P10253 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL4418809 0.84 ALDH1A1 (0.40) OPRD1MAPTKMT2AALDH1A1HTT
SCHEMBL4416154 0.82 ALDH1A1 (0.39) OPRD1ALDH1A1LMNAHSD17B10TSHR
SCHEMBL4418619 0.82 OPRD1 (0.36) OPRD1KMT2AHTTTSHRCYP3A4
SCHEMBL4428582 0.81 OPRD1 (0.40) OPRD1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL4413080 0.80 ALDH1A1 (0.46) OPRD1MAPTALDH1A1LMNAHSD17B10
SCHEMBL4418000 0.80 ALDH1A1 (0.50) OPRD1MAPTALDH1A1LMNAHSD17B10
SCHEMBL4413140 0.79 OPRD1 (0.43) OPRD1TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL4424497 0.79 ALDH1A1 (0.46) OPRD1MAPTALDH1A1LMNAHSD17B10
SCHEMBL4422471 0.79 OPRD1 (0.39) OPRD1MAPTALDH1A1LMNAHSD17B10
SCHEMBL4417629 0.78 MLYCD (0.47) OPRD1MAPTKMT2AALDH1A1LMNA

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