SCHEMBL7946131

SCHEMBL7946131

CC(C)(Sc1ccc(CC(=O)c2ccccc2)cc1)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
HSD17B10 Q99714 1/20 0.41
PLAU P00749 1/20 0.40
LMNA P02545 1/20 0.38
HTT P42858 2/20 0.38
ATM Q13315 1/20 0.38
FKBP1A P62942 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
S1PR5 Q9H228 1/20 0.38

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
SCHEMBL2321900 0.75 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2MAPTKMT2ARAB9A
SCHEMBL28385668 0.74 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL30441322 0.72 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRMAPTKMT2A
SCHEMBL15822437 0.72 GSK3B (0.55) ALDH1A1SMN1; SMN2TSHRMAPTKMT2A
SCHEMBL8522837 0.71 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL29137094 0.70 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL6168844 0.70 MAPT (0.51) SMN1; SMN2MAPK1MAPTKMT2ARAB9A
SCHEMBL50144 0.70 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2MAPTKMT2ARAB9A
Acetophenone SCHEMBL27769916 0.70 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL3282626 0.70 MAPT (0.55) ALDH1A1SMN1; SMN2MAPK1MAPTKMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242057-B1 GENERATING PHOTOINITIATORS KIMBERLY-CLARK WORLDWIDE, INC. 2001-06-05 US disclosed
EP-0767803-B1 METHOD OF GENERATING A REACTIVE SPECIES AND APPLICATIONS THEREFOR KIMBERLY CLARK CO (US) 2000-08-23 EP disclosed
EP-0994125-A1 Method of generating a reactive species and applications thereof KIMBERLY-CLARK CORPORATION (US) 2000-04-19 EP disclosed
US-5709955-A LAMINATION, PHOTOREACTOR WITH WAVELENGTH-SPECIFIC SENSITIZER BONDED TO PHOTOINITIATOR KIMBERLY-CLARK CORPORATION (US) 1998-01-20 US disclosed
US-5686503-A PHOTOINITIATORS KIMBERLY-CLARK CORPORATION (US) 1997-11-11 US disclosed
US-5685754-A FIBERS, WEBS, PHOTOSENSITIZER AND PHOTOINITIATOR COVALENTLY BONDED AS A PHOTOREACTOR KIMBERLY-CLARK CORPORATION (US) 1997-11-11 US disclosed
EP-0767803-A1 METHOD OF GENERATING A REACTIVE SPECIES AND APPLICATIONS THEREFOR KIMBERLY-CLARK CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000740-A1 METHOD OF GENERATING A REACTIVE SPECIES AND APPLICATIONS THEREFOR KIMBERLY-CLARK CORPORATION (US) 1996-01-11 WO disclosed