SCHEMBL8896884

SCHEMBL8896884

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
MAPK1 P28482 3/20 0.67
TSHR P16473 2/20 0.67
HRH3 Q9Y5N1 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
FKBP1A P62942 1/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL1023887 0.89 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2MAPK1TSHRHRH3
SCHEMBL8898367 0.87 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPK1TSHRHRH3
SCHEMBL8897848 0.87 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPK1TSHRHRH3
SCHEMBL8898854 0.86 MAPK1 (0.47) ALDH1A1SMN1; SMN2MAPK1TSHRMEN1
SCHEMBL8898638 0.86 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2MAPK1TSHRHRH3
SCHEMBL8898770 0.85 GSK3B (0.47) ALDH1A1SMN1; SMN2MAPK1TSHRKDM4E
SCHEMBL8898884 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPK1TSHRKDM4E
SCHEMBL8897565 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPK1TSHRKDM4E
SCHEMBL96864 0.85 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2MAPK1TSHRHRH3
SCHEMBL8898821 0.85 ALDH1A1 (0.45) 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
CN-114686038-A Ink composition and electronic device including the same 三星显示有限公司 2022-07-01 CN disclosed
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
EP-0284561-A2 Alpha-aminoacetophenones as photo initiators CIBA-GEIGY AG (CH) 1988-09-28 EP disclosed