SCHEMBL4418971

SCHEMBL4418971

CC(C)(O)C(=O)c1ccc(C(NCCc2ccccc2)c2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
MLYCD O95822 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRD1 P41143 1/20 0.43
MMP8 P22894 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
EPHX1 P07099 1/20 0.41
MTOR P42345 1/20 0.41
GRM7 Q14831 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
ESRRG P62508 1/20 0.41
POLB P06746 1/20 0.41
HDAC2 Q92769 1/20 0.40

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
SCHEMBL4427943 0.86 GABRB1 (0.48) RAB9ANPC1OPRK1OPRD1MMP8
SCHEMBL4416154 0.81 ALDH1A1 (0.39) RAB9AMLYCDSMN1; SMN2OPRD1CYP3A4
SCHEMBL4428582 0.80 OPRD1 (0.40) RAB9AMLYCDOPRD1CYP1A2CYP3A4
SCHEMBL4418000 0.79 ALDH1A1 (0.50) RAB9AMLYCDMAPTOPRD1CYP3A4
SCHEMBL4413080 0.79 ALDH1A1 (0.46) MLYCDSMN1; SMN2MAPTOPRD1POLB
SCHEMBL4413140 0.78 OPRD1 (0.43) MLYCDOPRD1CYP3A4CYP2C9CYP2C19
SCHEMBL4418619 0.78 OPRD1 (0.36) RAB9AMLYCDSMN1; SMN2OPRD1CYP1A2
SCHEMBL4418809 0.78 ALDH1A1 (0.40) RAB9AMLYCDSMN1; SMN2MAPTOPRD1
SCHEMBL4422471 0.78 OPRD1 (0.39) RAB9AMLYCDMAPTOPRD1CYP3A4
SCHEMBL4424497 0.78 ALDH1A1 (0.46) RAB9AMLYCDMAPTOPRD1CYP3A4

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