SCHEMBL9728263

SCHEMBL9728263

CC(OC(=O)N(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.51
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPSR1 Q6W5P4 2/20 0.45
CHRM4 P08173 4/20 0.45
CHRM3 P20309 4/20 0.45
CHRM5 P08912 3/20 0.44
CHRM1 P11229 3/20 0.44
CHRM2 P08172 1/20 0.44
LTB4R Q15722 2/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX5 P09917 2/20 0.40
OPRM1 P35372 3/20 0.39

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
Trolamine SCHEMBL11286441 0.88 HCAR2 (0.42) HCAR2ATMTDP1L3MBTL1NPSR1
SCHEMBL16965403 0.83 ATM (0.55) ATMTDP1L3MBTL1NPSR1CHRM4
SCHEMBL12436367 0.81 HCAR2 (0.54) HCAR2LTB4RLTB4R2ALDH1A1TP53
SCHEMBL20847151 0.80 HCAR2 (0.53) HCAR2LTB4RLTB4R2ALDH1A1TP53
SCHEMBL16964940 0.80 L3MBTL1 (0.52) ATMTDP1L3MBTL1NPSR1CHRM4
SCHEMBL10838224 0.80 HCAR2 (0.53) HCAR2LTB4RLTB4R2ALDH1A1TP53
SCHEMBL7112407 0.80 ATM (0.41) HCAR2ATMTDP1L3MBTL1NPSR1
SCHEMBL2446102 0.79 HCAR2 (0.51) HCAR2LTB4RLTB4R2ALDH1A1TP53
SCHEMBL4707913 0.79 HCAR2 (0.51) HCAR2LTB4RLTB4R2ALDH1A1TP53
SCHEMBL16965722 0.79 ATM (0.50) ATMTDP1L3MBTL1NPSR1CHRM4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5084541-A Self curing, crosslinking compounds to form environmentally resistant coatings AMERICAN CYANAMID COMPANY (US) 1992-01-28 US disclosed
US-4939213-A Triazine crosslinking agents and curable compositions containing the same AMERICAN CYANAMID COMPANY (US) 1990-07-03 US disclosed
US-4380604-A Radiation-hardenable acrylic acid esters containing urethane groups and their use BAYER AKTIENGESELLSCHAFT (DE) 1983-04-19 US disclosed