SCHEMBL4423938

SCHEMBL4423938

CCC(Cc1ccccc1)(C(=O)c1ccc(C(O)c2ccc(C(=O)C(CC)(Cc3ccccc3)N(C)C)cc2)cc1)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.38
SRD5A2 P31213 1/20 0.38
RIPK1 Q13546 2/20 0.37
OPRD1 P41143 4/20 0.36
MAPK1 P28482 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRB2 P47870 1/20 0.35
KCNH2 Q12809 2/20 0.34
OPRM1 P35372 2/20 0.34
MRGPRX2 Q96LB1 1/20 0.34
CHRM3 P20309 1/20 0.34
HRH2 P25021 1/20 0.34
HTR2A P28223 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRK1 P41145 1/20 0.34
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TRPA1 O75762 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL4424478 0.88 L3MBTL1 (0.35) SRD5A2OPRD1OPRM1POLBALDH1A1
SCHEMBL4414354 0.88 OPRD1 (0.40) MLYCDRIPK1OPRD1GABRB1GABRB2
Benzene SCHEMBL28672020 0.87 RIPK1 (0.43) MLYCDRIPK1MEN1KMT2ASMN1; SMN2
SCHEMBL4650526 0.87 RIPK1 (0.43) MLYCDRIPK1MEN1KMT2ASMN1; SMN2
SCHEMBL4651747 0.85 NPC1 (0.41) MLYCDRIPK1POLBALDH1A1KDM4E
SCHEMBL8898890 0.85 LMNA (0.42) MLYCDRIPK1OPRD1OPRM1OPRK1
SCHEMBL8899758 0.85 PPARG (0.48) MLYCDRIPK1GABRB1GABRB2KCNH2
SCHEMBL4418439 0.84 ALDH1A1 (0.37) MLYCDMAPK1KCNH2MRGPRX2POLB
SCHEMBL3426366 0.84 MLYCD (0.42) MLYCDRIPK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL58499 0.84 KMT2A (0.51) MLYCDMAPK1ALDH1A1KDM4EMEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137756-A1 Water Based Concentrated Product Forms of Photoinitiators Made by a Heterophase Polymerization Technique BASF SE (DE) 2016-05-19 US disclosed
EP-2035496-B1 WATER BASED CONCENTRATED PRODUCT FORMS OF PHOTOINITIATORS MADE BY A HETEROPHASE POLYMERIZATION TECHNIQUE BASF SE (DE) 2014-07-30 EP disclosed
US-20100234484-A1 Water based concentrated product forms of photoinitiators made by a heterophase polymerization technique IGM GROUP B.V. (NL) 2010-09-16 US disclosed
EP-1620475-B1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2009-11-11 EP disclosed
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-7462650-B2 Trifunctional photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-09 US disclosed
WO-2008003601-A1 WATER BASED CONCENTRATED PRODUCT FORMS OF PHOTOINITIATORS MADE BY A HETEROPHASE POLYMERIZATION TECHNIQUE CIBA HOLDING INC. (CH) 2008-01-10 WO 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