SCHEMBL4424478

SCHEMBL4424478

CCC(Cc1ccc(C)cc1)(C(=O)c1ccc(C(O)c2ccc(C(=O)C(CC)(Cc3ccc(C)cc3)N(C)C)cc2)cc1)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
UTS2R Q9UKP6 4/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CA2 P00918 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 2/20 0.33
CNR2 P34972 1/20 0.33
PTPN1 P18031 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SRD5A2 P31213 1/20 0.33
CHEK2 O96017 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL4416117 0.89 CHRNA7 (0.45) L3MBTL1NPC1RAB9AUTS2RHPGD
SCHEMBL4423938 0.88 MLYCD (0.38) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL3681592 0.84 PTPN1 (0.39) L3MBTL1NPC1RAB9AHPGDALDH1A1
SCHEMBL19601191 0.84 SMN1; SMN2 (0.43) HPGDALDH1A1CA2KDM4EHTT
SCHEMBL4651748 0.84 NPC1 (0.41) L3MBTL1NPC1RAB9AHPGDPOLB
SCHEMBL4651747 0.84 NPC1 (0.41) L3MBTL1NPC1RAB9AHPGDALDH1A1
Fluoride SCHEMBL28209043 0.83 NPC1 (0.41) L3MBTL1NPC1RAB9AHPGDPOLB
SCHEMBL4423433 0.80 MLYCD (0.34) HPGDALDH1A1CA2SRD5A2
SCHEMBL8899130 0.79 NPSR1 (0.41) L3MBTL1NPC1RAB9AUTS2RHPGD
SCHEMBL21883003 0.78 MAPT (0.36) L3MBTL1NPC1RAB9AHPGDALDH1A1

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