SCHEMBL8898865

SCHEMBL8898865

C=CCC(C)(C(=O)c1ccc(N2CCCC2)cc1)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TSHR P16473 3/20 0.44
MAPK1 P28482 2/20 0.44
GSK3B P49841 1/20 0.42
HDAC6 Q9UBN7 2/20 0.42
MAPT P10636 8/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
STAT1 P42224 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
PKM P14618 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
SCHEMBL8898770 0.95 GSK3B (0.47) ALDH1A1SMN1; SMN2TSHRMAPK1GSK3B
SCHEMBL8900086 0.91 HDAC6 (0.44) ALDH1A1SMN1; SMN2TSHRMAPK1HDAC6
SCHEMBL8898829 0.91 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2TSHRMAPK1GSK3B
SCHEMBL8898854 0.86 MAPK1 (0.47) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL8899547 0.85 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2TSHRMAPK1GSK3B
SCHEMBL8898884 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL8897565 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL8898821 0.85 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL8896884 0.83 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL8899027 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TSHRMAPK1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5629356-A PHOTOCURABLE COMPOSITION CONTAINING ETHYLENICALLY UNSATURATED PHOTOPOLYMERIZABLE COMPOUND AND THE AMINOACETOPHENONE CIBA GEIGY CORPORATION (US) 1997-05-13 US disclosed
US-5554663-A α-aminoacetophenones as photoinitiators CIBA-GEIGY CORPORATION (US) 1996-09-10 US disclosed
US-5534629-A PHOTOPOLYMERIZATION OF PIGMENTED SYSTEMS, INKS CIBA-GEIGY CORPORATION (US) 1996-07-09 US disclosed
EP-0284561-B1 ALPHA-AMINOACETOPHENONES AS PHOTO INITIATORS CIBA-GEIGY AG (CH) 1993-05-12 EP disclosed
US-5077402-A For photocuring pigmented systems; printing inks, lacquers CIBA-GEIGY CORPORATION (US) 1991-12-31 US disclosed
EP-0284561-A2 Alpha-aminoacetophenones as photo initiators CIBA-GEIGY AG (CH) 1988-09-28 EP disclosed