SCHEMBL8897630

SCHEMBL8897630

C=CCC(C)(C(=O)c1ccc(N(C)C)cc1)N(CCCC)CCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC11 Q96DB2 2/20 0.40
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 7/20 0.38
HSD17B10 Q99714 3/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 4/20 0.37
MAPT P10636 4/20 0.37
RAB9A P51151 5/20 0.35
NPC1 O15118 3/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MCL1 Q07820 2/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL8897073 0.84 PKM (0.45) HDAC3HDAC1HDAC2CNR2ALDH1A1
SCHEMBL8899809 0.83 MAPT (0.44) HDAC3HDAC1HDAC2HDAC8HDAC11
SCHEMBL8897989 0.73 MAPT (0.46) HDAC3HDAC1HDAC2HDAC8HDAC11
SCHEMBL9679522 0.72 ALDH1A1 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC11
SCHEMBL9681277 0.72 GAA (0.46) HDAC3HDAC1HDAC2HDAC8HDAC11
SCHEMBL9679885 0.71 ALDH1A1 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC11
SCHEMBL6026322 0.69 CYP1A2 (0.41) MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL8898460 0.69 MAPT (0.41) HDAC3HDAC1HDAC2HDAC8HDAC11
SCHEMBL8898466 0.68 TP53 (0.40) HDAC3HDAC1HDAC2HDAC8CNR2
SCHEMBL8898434 0.68 TSHR (0.44) ALDH1A1LMNAMAPTRAB9ANPC1

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