SCHEMBL8899115

SCHEMBL8899115

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
THRB P10828 3/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
THRA P10827 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32

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
SCHEMBL8897848 0.90 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL8899759 0.89 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL10384867 0.88 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TSHRMAPK1NPSR1
SCHEMBL10885929 0.83 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL8898210 0.82 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TSHRMAPK1NPSR1
SCHEMBL8898715 0.82 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2TSHRMAPK1THRB
SCHEMBL10888689 0.81 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL8896884 0.80 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT
SCHEMBL6051821 0.80 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2TSHRMAPK1NPSR1
SCHEMBL8897530 0.80 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2TSHRMAPK1MAPT

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