SCHEMBL8777592

SCHEMBL8777592

CCCCCCOc1cc(N(C)C)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2cccnc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 6/20 0.33
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 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
SCHEMBL10662884 0.99 TDP1 (0.33) PLA2G2ATDP1ALDH1A1CYP3A4HPGD
SCHEMBL30009305 0.93 PLA2G2A (0.32) PLA2G2ATDP1ALDH1A1CYP2C9CYP2C19
SCHEMBL29496955 0.93 PLA2G2A (0.32) PLA2G2ATDP1ALDH1A1CYP2C9CYP2C19
SCHEMBL891165 0.93 PLA2G2A (0.32) PLA2G2ATDP1ALDH1A1CYP2C9CYP2C19
SCHEMBL10661081 0.93 PLA2G2A (0.32) PLA2G2ATDP1ALDH1A1CYP2C9CYP2C19
SCHEMBL10596820 0.93 PLA2G2A (0.32) PLA2G2ATDP1ALDH1A1CYP2C9CYP2C19
SCHEMBL9467342 0.92 LMNA (0.32) PLA2G2ATDP1ALDH1A1CYP2C9CYP2C19
SCHEMBL3191798 0.91 CYP3A4 (0.35) TDP1ALDH1A1CYP3A4HPGDHIF1A
SCHEMBL20987295 0.91 HTT (0.33) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
SCHEMBL1767186 0.90 CNR2 (0.40) ALDH1A1MEN1RECQLKMT2APSEN1

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-4747875-A Chromogenic azaphthalide compound and a colour-forming recording composition containing the same YAMADA CHEMICAL CO., LTD. (JP) 1988-05-31 US claimed
EP-0587184-B1 Pressure sensitive recording materials NEW OJI PAPER CO LTD (JP) 1997-12-29 EP disclosed
US-5478793-A Basic dye-containing layer and color accetpor-containing layer formed on same or different surfaces; basic dye enclosed in synthetic polymer microcapsules, color acceptor is activated clay containing silica KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1995-12-26 US disclosed
EP-0587184-A2 Pressure sensitive recording materials NEW OJI PAPER CO., LTD. (JP) 1994-03-16 EP disclosed