SCHEMBL4418400

SCHEMBL4418400

C=CCC(CC)(C(=O)c1ccc(C(O)c2ccc(C(=O)C(CC)(CC=C)N3CCOCC3)cc2)cc1)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TSHR P16473 3/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH3 Q9Y5N1 1/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MLYCD O95822 1/20 0.32
FKBP1A P62942 1/20 0.32
NAMPT P43490 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
SCHEMBL8900852 0.86 GSK3B (0.45) ALDH1A1TSHRMAPK1SMN1; SMN2KMT2A
SCHEMBL8900168 0.86 NPC1 (0.42) ALDH1A1TSHRMAPK1SMN1; SMN2KMT2A
SCHEMBL3426330 0.86 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1SMN1; SMN2KMT2A
SCHEMBL4424512 0.84 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL8899759 0.84 ALDH1A1 (0.60) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL8898956 0.84 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2KMT2AL3MBTL1
SCHEMBL8898225 0.84 GSK3B (0.45) ALDH1A1TSHRMAPK1SMN1; SMN2KMT2A
SCHEMBL8897530 0.83 SMN1; SMN2 (0.47) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL8900827 0.82 SMN1; SMN2 (0.46) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL8899765 0.81 MAPK1 (0.46) ALDH1A1TSHRMAPK1SMN1; SMN2KMT2A

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