SCHEMBL4421945

SCHEMBL4421945

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 7/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ADRB2 P07550 1/20 0.32
ADRB3 P13945 1/20 0.32
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTR1A P08908 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
AKT1 P31749 1/20 0.30
LATS1 O95835 1/20 0.30
LATS2 Q9NRM7 1/20 0.30
KCNH3 Q9ULD8 1/20 0.30

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
SCHEMBL4418619 0.95 OPRD1 (0.36) OPRD1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL4420959 0.89 OPRD1 (0.36) OPRD1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL4416154 0.85 ALDH1A1 (0.39) OPRD1ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL4418809 0.84 ALDH1A1 (0.40) OPRD1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4418000 0.82 ALDH1A1 (0.50) OPRD1ALDH1A1LMNAHSD17B10AKT1
SCHEMBL4424497 0.81 ALDH1A1 (0.46) OPRD1ALDH1A1LMNAHSD17B10TDP1
SCHEMBL4420979 0.80 SLC6A4 (0.32) MEN1KMT2AHTR1A
SCHEMBL3087935 0.80 SLC6A4 (0.32) MEN1KMT2AHTR1A
SCHEMBL4423429 0.80 SLC6A4 (0.32) MEN1KMT2AHTR1A
SCHEMBL4415866 0.80 SLC6A4 (0.32) MEN1KMT2AHTR1A

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