SCHEMBL4424497

SCHEMBL4424497

CC(C)(O)C(=O)c1ccc(C(NCCCCO)c2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 2/20 0.38
OPRD1 P41143 1/20 0.36
CYP4A11 Q02928 2/20 0.35
CYP4F2 P78329 1/20 0.34
MLYCD O95822 2/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
GRM7 Q14831 1/20 0.33
CNR1 P21554 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
RRM1 P23921 1/20 0.32
PDK1 Q15118 1/20 0.31

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
SCHEMBL4418000 0.96 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10POLBOPRD1
SCHEMBL4416154 0.90 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10OPRD1CYP4A11
SCHEMBL4417629 0.87 MLYCD (0.47) ALDH1A1LMNAPOLBOPRD1MLYCD
SCHEMBL4413080 0.87 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10POLBOPRD1
SCHEMBL4428571 0.86 OPRD1 (0.38) ALDH1A1LMNAHSD17B10POLBOPRD1
SCHEMBL4422471 0.86 OPRD1 (0.39) ALDH1A1LMNAHSD17B10POLBOPRD1
SCHEMBL4428582 0.82 OPRD1 (0.40) ALDH1A1LMNAHSD17B10OPRD1MLYCD
SCHEMBL4421945 0.81 OPRD1 (0.34) ALDH1A1LMNAHSD17B10OPRD1TDP1
SCHEMBL4413140 0.80 OPRD1 (0.43) OPRD1MLYCDCYP3A4TSHRHDAC1
SCHEMBL4418619 0.80 OPRD1 (0.36) POLBOPRD1MLYCDTDP1MTOR

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