SCHEMBL1618809

SCHEMBL1618809

C=CCN(CC=C)c1ccc(C2(c3ccc(N(CC=C)CC=C)cc3)OC(=O)c3cc(Cl)ccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
CYP3A4 P08684 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
HPGD P15428 1/20 0.56
HIF1A Q16665 1/20 0.56
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
UTS2R Q9UKP6 3/20 0.50
CFTR P13569 1/20 0.39
GOPC Q9HD26 1/20 0.39
TYMS P04818 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
ESR1 P03372 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL1892014 0.85 ALDH1A1 (0.59) ALDH1A1CYP3A4HSD17B10TDP1HPGD
SCHEMBL1618851 0.84 CFTR (0.58) ALDH1A1CYP3A4HSD17B10TDP1HPGD
SCHEMBL221163 0.83 TDP1 (0.81) ALDH1A1CYP3A4HSD17B10TDP1HPGD
SCHEMBL10369908 0.81 TDP1 (0.65) ALDH1A1CYP3A4HSD17B10TDP1HPGD
SCHEMBL9319978 0.78 TDP1 (0.68) ALDH1A1CYP3A4HSD17B10TDP1HPGD
SCHEMBL1944130 0.76 TDP1 (0.58) ALDH1A1CYP3A4HSD17B10TDP1HPGD
SCHEMBL1074866 0.75 ALDH1A1 (0.68) ALDH1A1CYP3A4HSD17B10TDP1HPGD
SCHEMBL1369193 0.74 ALDH1A1 (0.80) ALDH1A1CYP3A4HSD17B10TDP1HPGD
SCHEMBL3176397 0.73 ALDH1A1 (0.82) ALDH1A1CYP3A4HSD17B10TDP1HPGD
SCHEMBL8322552 0.73 ALDH1A1 (0.78) ALDH1A1CYP3A4HSD17B10TDP1HPGD

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-7923488-B2 Leuco dyes with a N,N-dialkylamino, N,N-diarylamino, N-alkyl-N-arylamino, N-alkylamino, or N-arylamino group on one of the aromatic rings and a latent curing agent or catalyst activate-able by heat, pressure, or radiation TRILLION SCIENCE, INC. (US) 2011-04-12 US disclosed
WO-2008048554-A2 IMPROVED EPOXY COMPOSITIONS TRILLION SCIENCE, INC. (US) 2008-04-24 WO disclosed
US-20080090943-A1 Leuco dyes with a N,N-dialkylamino, N,N-diarylamino, N-alkyl-N-arylamino, N-alkylamino, or N-arylamino group on one of the aromatic rings and a latent curing agent or catalyst activate-able by heat, pressure, or radiation TRILLION, INC. 2008-04-17 US disclosed