SCHEMBL8898367

SCHEMBL8898367

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPK1 P28482 2/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
FKBP1A P62942 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 2/20 0.32
TP53 P04637 1/20 0.32
CHRM2 P08172 1/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
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
SCHEMBL8896884 0.87 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPK1TSHRMEN1
SCHEMBL1023887 0.86 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2MAPK1TSHRMEN1
SCHEMBL10884387 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPK1TSHRMEN1
SCHEMBL8898854 0.83 MAPK1 (0.47) ALDH1A1SMN1; SMN2MAPK1TSHRMEN1
SCHEMBL8898638 0.83 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2MAPK1TSHRMEN1
SCHEMBL8897565 0.82 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPK1TSHRMEN1
SCHEMBL8898770 0.82 GSK3B (0.47) ALDH1A1SMN1; SMN2MAPK1TSHRMEN1
SCHEMBL8898884 0.82 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPK1TSHRMEN1
SCHEMBL8898821 0.82 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPK1TSHRMEN1
SCHEMBL8899027 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPK1TSHRMEN1

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