SCHEMBL11245491

SCHEMBL11245491

N#CCCC(O)(CCC#N)C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.44
CES1 P23141 4/20 0.42
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SRC P12931 1/20 0.40
ALDH1A1 P00352 4/20 0.37
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
PTPN1 P18031 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL22047370 0.84 MLYCD (0.46) MLYCDCES1KMT2AMAPTMEN1
SCHEMBL11620954 0.84 MLYCD (0.46) MLYCDCES1KMT2AMAPTMEN1
Methoxymethane SCHEMBL11307133 0.81 CES1 (0.47) MLYCDCES1KMT2AMAPTMEN1
SCHEMBL29256384 0.79 MLYCD (0.43) MLYCDCES1KMT2AMAPTMEN1
SCHEMBL10944183 0.78 MLYCD (0.42) MLYCDKMT2AMAPTMEN1HPGD
Ether SCHEMBL11315900 0.78 ALDH1A1 (0.41) MLYCDCES1KMT2AMAPTMEN1
SCHEMBL21850146 0.77 MLYCD (0.41) MLYCDCES1KMT2AMAPTMEN1
SCHEMBL11284817 0.77 CES1 (0.52) CES1KMT2AMAPTMEN1HPGD
SCHEMBL11308358 0.76 LMNA (0.40) MLYCDCES1KMT2AMAPTMEN1
SCHEMBL10458191 0.76 GAA (0.53) CES1KMT2AMAPTMEN1HPGD

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-4321118-A Bis benzoyl sensitizers for photopolymerization or photo cross linking process and composition CIBA-GEIGY CORPORATION (US) 1982-03-23 US disclosed
US-4318791-A PHOTOPOLYMERIZABLE SYSTEM FOR INKS CIBA-GEIGY CORPORATION (US) 1982-03-09 US disclosed
US-4315807-A Sensitizers for photopolymerization CIBA-GEIGY CORPORATION (US) 1982-02-16 US disclosed
US-4308400-A AROMATIC HYDROXY KETONES CIBA-GEIGY A.G. (CH) 1981-12-29 US disclosed
US-4284485-A STABILIZED WITH A POLYALKYLPIPERIDINE DERIVATIVE CIBA-GEIGY CORPORATION (US) 1981-08-18 US disclosed