SCHEMBL10655050

SCHEMBL10655050

COCCn1c(C)c(C2(c3ccc(N(C)C)cc3C)OC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c32)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
SMAD3 P84022 1/20 0.32
TDP1 Q9NUW8 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
BLM P54132 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
GRM4 Q14833 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL31721006 0.89 SMAD3 (0.35) ALDH1A1KDM4EHSD17B10CASP1SMAD3
SCHEMBL966961 0.89 SMAD3 (0.35) ALDH1A1KDM4EHSD17B10CASP1SMAD3
SCHEMBL10658993 0.85 LMNA (0.41) PTGER4ALDH1A1KDM4EHSD17B10USP2
SCHEMBL29377149 0.84 CNR2 (0.37) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL715635 0.84 CNR2 (0.37) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL28792093 0.82 TP53 (0.35) ALDH1A1KDM4EHSD17B10CASP1SMAD3
SCHEMBL11244062 0.82 CNR2 (0.37) ALDH1A1KDM4EGAASMAD3HPGD
SCHEMBL15987410 0.81 SMAD3 (0.34) ALDH1A1KDM4EHSD17B10USP2CASP1
SCHEMBL11255362 0.81 SMAD3 (0.34) ALDH1A1KDM4EHSD17B10CASP1SMAD3
SCHEMBL29496963 0.81 SMAD3 (0.34) ALDH1A1KDM4EHSD17B10USP2CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4788285-A COLOR FORMERS IN IMAGER TRANSFERRING, CARBONLESS COPYING, THERMAL RESPONISVE MARKING HILTON DAVID CHEMICAL CO. 1988-11-29 US disclosed
US-4736027-A COLOR FORMING HILTON DAVIS CHEMICAL CO. (US) 1988-04-05 US disclosed
US-4660060-A COLOR-FORMING FOR TRANSFER IMAGING; XEROGRAPHY THE HILTON-DAVIS CHEMICAL CO. (US) 1987-04-21 US disclosed
EP-0206114-A2 Novel substituted phthalides and furopyridinones, preparation thereof and use thereof as color formers HILTON-DAVIS CHEMICAL CO. (US) 1986-12-30 EP disclosed