SCHEMBL4416072

SCHEMBL4416072

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 5/20 0.44
ALDH1A1 P00352 6/20 0.38
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.37
OPRD1 P41143 2/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
HSD11B1 P28845 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 2/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL4425716 0.82 OPRD1 (0.38) MLYCDALDH1A1L3MBTL1OPRD1HPGD
SCHEMBL4416234 0.80 OPRD1 (0.39) MLYCDOPRD1HPGDCYP1A2CYP3A4
SCHEMBL4417620 0.79 OPRD1 (0.46) MLYCDALDH1A1OPRD1TSHR
SCHEMBL4418395 0.79 MLYCD (0.43) MLYCDALDH1A1MAPTOPRD1HPGD
SCHEMBL3675207 0.78 OPRD1 (0.46) MLYCDALDH1A1L3MBTL1OPRD1CYP3A4
SCHEMBL4415856 0.76 OPRD1 (0.47) MLYCDL3MBTL1OPRD1HPGD
SCHEMBL4428569 0.76 OPRD1 (0.36) MLYCDL3MBTL1OPRD1HPGDCYP1A2
SCHEMBL4421850 0.75 MLYCD (0.37) MLYCDALDH1A1OPRD1TSHR
SCHEMBL4418850 0.75 MLYCD (0.36) MLYCDALDH1A1NPC1L3MBTL1OPRD1
SCHEMBL4422340 0.75 SMN1; SMN2 (0.37) ALDH1A1NPC1L3MBTL1MAPTOPRD1

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