SCHEMBL4424512

SCHEMBL4424512

C=CCC(O)(c1ccc(C(=O)C(CC)(CC=C)N2CCOCC2)cc1)c1ccc(C(=O)C(CC)(CC=C)N2CCOCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
MLYCD O95822 4/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NAMPT P43490 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CYP2D6 P10635 1/20 0.32
HPGD P15428 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
SCHEMBL3426330 0.86 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TSHRMAPK1NPC1
SCHEMBL8900168 0.86 NPC1 (0.42) ALDH1A1SMN1; SMN2TSHRMAPK1NPC1
SCHEMBL8900852 0.86 GSK3B (0.45) ALDH1A1SMN1; SMN2TSHRMAPK1NPC1
SCHEMBL8899759 0.84 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2TSHRMAPK1RAB9A
SCHEMBL8898956 0.84 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRKMT2ALMNA
SCHEMBL4418400 0.84 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TSHRMAPK1MLYCD
SCHEMBL8898225 0.84 GSK3B (0.45) ALDH1A1SMN1; SMN2TSHRMAPK1NPC1
SCHEMBL8897530 0.83 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2TSHRMAPK1MLYCD
SCHEMBL8899913 0.83 THRA (0.52) MEN1KMT2A
SCHEMBL8900827 0.82 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2TSHRMAPK1MLYCD

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