SCHEMBL4415902

SCHEMBL4415902

CN1CCN(C(C)(C)C(=O)c2ccc(C(O)c3ccc(C(=O)C(C)(C)N4CCN(C)CC4)cc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 2/20 0.42
ALOX15 P16050 1/20 0.42
ELANE P08246 1/20 0.38
POLB P06746 2/20 0.37
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
LMNA P02545 2/20 0.35
CYP2D6 P10635 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
RXRA P19793 1/20 0.35

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
SCHEMBL10941271 0.83 SMN1; SMN2 (0.49) TSHRSMN1; SMN2ALDH1A1MAPK1HPGD
SCHEMBL4425712 0.83 ALDH1A1 (0.65) TSHRSMN1; SMN2ALDH1A1MAPK1ELANE
SCHEMBL10385895 0.81 POLB (0.58) TSHRSMN1; SMN2ALDH1A1MAPK1HPGD
SCHEMBL9679862 0.81 SMN1; SMN2 (0.54) TSHRSMN1; SMN2ALDH1A1MAPK1HPGD
SCHEMBL9679479 0.80 POLB (0.46) TSHRSMN1; SMN2ALDH1A1MAPK1HPGD
SCHEMBL9679876 0.79 NPC1 (0.56) TSHRSMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL4421008 0.79 ALDH1A1 (0.59) TSHRSMN1; SMN2ALDH1A1MAPK1HRH3
SCHEMBL10710873 0.78 CYP2C9 (0.46) TSHRSMN1; SMN2ALDH1A1MAPK1HPGD
SCHEMBL9681715 0.78 NPSR1 (0.54) TSHRSMN1; SMN2ALDH1A1MAPK1HPGD
SCHEMBL10942688 0.78 CES2 (0.47) TSHRSMN1; SMN2ALDH1A1MAPK1HPGD

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