SCHEMBL8897073

SCHEMBL8897073

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 2/20 0.37

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
SCHEMBL8897630 0.84 HDAC3 (0.41) HDAC3HDAC1HDAC2LMNAALDH1A1
SCHEMBL9679513 0.82 HDAC3 (0.48) HDAC3HDAC1HDAC2LMNAALDH1A1
SCHEMBL10385926 0.72 TSHR (0.52) PKMHDAC3HDAC1HDAC2LMNA
SCHEMBL8898339 0.72 PKM (0.49) PKMHDAC3HDAC1HDAC2LMNA
SCHEMBL8898907 0.72 PKM (0.46) PKMHDAC3HDAC1HDAC2LMNA
SCHEMBL11869815 0.70 PKM (0.52) PKMHDAC3HDAC1HDAC2LMNA
SCHEMBL6254562 0.69 CES2 (0.53) PKMHDAC3HDAC1HDAC2LMNA
SCHEMBL9681297 0.68 CES2 (0.48) HDAC3HDAC1HDAC2LMNAALDH1A1
SCHEMBL14229095 0.68 EGFR (0.57) HDAC3HDAC1HDAC2LMNAGAA
SCHEMBL18083255 0.68 CES2 (0.52) PKMLMNAALDH1A1MAPTMAPK1

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