SCHEMBL8897327

SCHEMBL8897327

C/C=C/CC(CC)(C(=O)c1ccc(SC)cc1)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
TSHR P16473 3/20 0.59
MAPK1 P28482 2/20 0.59
KDM4E B2RXH2 5/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 2/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
LMNA P02545 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
FKBP1A P62942 1/20 0.32
ATM Q13315 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
SCHEMBL8897332 1.00 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
SCHEMBL10888689 0.88 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
SCHEMBL8899759 0.88 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
SCHEMBL8900208 0.86 GSK3B (0.44) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
SCHEMBL8898330 0.86 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
SCHEMBL8900214 0.86 GSK3B (0.44) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
SCHEMBL8898326 0.86 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
SCHEMBL8898198 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
SCHEMBL8898204 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
SCHEMBL10384867 0.82 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E

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