SCHEMBL10657388

SCHEMBL10657388

CCOCCn1c(C)c(C2(c3ccc(N(CC)CC)cc3C)OC(=O)c3ncccc32)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.34
TSHR P16473 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30
HTT P42858 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
HCRTR1 O43613 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HBB P68871 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TLR9 Q9NR96 1/20 0.30

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
SCHEMBL10660608 0.93 POLB (0.34) TSHRNPSR1POLBTDP1ALDH1A1
SCHEMBL25187494 0.90 PDE4A (0.36) POLBALDH1A1MAPTKDM4EMEN1
SCHEMBL29735455 0.90 GSK3A (0.36) TSHRNPSR1POLBALDH1A1MAPT
SCHEMBL211139 0.90 GSK3A (0.36) TSHRNPSR1POLBALDH1A1MAPT
SCHEMBL10656410 0.89 MYC (0.34) MYCTSHRNPSR1POLBTDP1
SCHEMBL10657528 0.88 MAPT (0.39) MYCTSHRNPSR1POLBTDP1
SCHEMBL20997449 0.87 MAPT (0.35) TSHRNPSR1POLBALDH1A1MAPT
SCHEMBL10660150 0.85 CASP7 (0.35) TSHRNPSR1POLBTDP1ALDH1A1
SCHEMBL25192624 0.84 PGR (0.35) POLBALDH1A1MAPTKDM4EMEN1
SCHEMBL3234897 0.84 CNR2 (0.37) POLBALDH1A1KDM4EMEN1KMT2A

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