SCHEMBL8899987

SCHEMBL8899987

CCC(Cc1ccccc1)(C(=O)c1ccc(S)cc1)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.39
RIPK1 Q13546 3/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
HIF1A Q16665 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34

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
Benzene SCHEMBL28672020 0.90 RIPK1 (0.43) MLYCDRIPK1MEN1KMT2AHIF1A
SCHEMBL4650526 0.90 RIPK1 (0.43) MLYCDRIPK1MEN1KMT2AHIF1A
SCHEMBL8898890 0.87 LMNA (0.42) MLYCDRIPK1LMNAALDH1A1MAPT
SCHEMBL4651747 0.87 NPC1 (0.41) MLYCDRIPK1MEN1KMT2ASMN1; SMN2
SCHEMBL8899758 0.87 PPARG (0.48) MLYCDRIPK1MEN1KMT2APPARG
SCHEMBL58499 0.86 KMT2A (0.51) MLYCDMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8896958 0.86 TMEM97 (0.41) MLYCDRIPK1MEN1KMT2ASMN1; SMN2
SCHEMBL3426366 0.86 MLYCD (0.42) MLYCDRIPK1SMN1; SMN2ALDH1A1NPC1
SCHEMBL14156794 0.85 NPY5R (0.47) MEN1KMT2APPARGPPARASMN1; SMN2
SCHEMBL4423938 0.84 MLYCD (0.38) MLYCDRIPK1MEN1KMT2APPARG

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