SCHEMBL8900827

SCHEMBL8900827

C=CCSc1ccc(C(=O)C(CC)(CC=C)N2CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.46
FKBP1A P62942 3/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NAMPT P43490 1/20 0.31
MLYCD O95822 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
SCHEMBL8897530 0.92 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPK1TSHRFKBP1A
SCHEMBL8898861 0.89 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPK1TSHRFKBP1A
SCHEMBL8899759 0.89 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1MAPK1TSHRFKBP1A
SCHEMBL8899765 0.86 MAPK1 (0.46) SMN1; SMN2ALDH1A1MAPK1TSHRFKBP1A
SCHEMBL1023887 0.85 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MAPK1TSHRFKBP1A
SCHEMBL3426330 0.84 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1MAPK1TSHRFKBP1A
SCHEMBL8900852 0.84 GSK3B (0.45) SMN1; SMN2ALDH1A1MAPK1TSHRRAB9A
SCHEMBL8900168 0.84 NPC1 (0.42) SMN1; SMN2ALDH1A1MAPK1TSHRRAB9A
SCHEMBL3353992 0.84 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1MAPK1TSHRFKBP1A
SCHEMBL8897848 0.83 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1MAPK1TSHRFKBP1A

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 5 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
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