SCHEMBL8777658

SCHEMBL8777658

CCN(CC)c1ccc(C(COCC(c2ccc(N(CC)CC)cc2)c2c(-c3ccccc3)n(C)c3ccccc23)c2c(-c3ccccc3)n(C)c3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.38
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 2/20 0.37
ATM Q13315 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
CTNNB1 P35222 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL8777660 0.89 CNR2 (0.38) ALDH1A1HSD17B10HPGDLMNACYP2C19
SCHEMBL8777643 0.88 ALDH1A1 (0.40) ALDH1A1HSD17B10HPGDLMNACYP2C19
SCHEMBL8777664 0.84 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDLMNACYP2C19
SCHEMBL12765063 0.78 ALDH1A1 (0.37) ALDH1A1HSD17B10HPGDLMNACYP2C19
SCHEMBL12765062 0.78 ATM (0.36) ALDH1A1HSD17B10HPGDLMNACYP2C19
SCHEMBL12765064 0.77 KMT2A (0.38) ALDH1A1HSD17B10HPGDLMNACYP2C19
SCHEMBL12765047 0.75 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDLMNACYP2C19
SCHEMBL12765060 0.74 ALDH1A1 (0.40) ALDH1A1HSD17B10HPGDLMNACYP2C19
SCHEMBL8777663 0.74 CNR2 (0.38) ALDH1A1HSD17B10HPGDLMNACYP2C19
SCHEMBL8777654 0.74 ALDH1A1 (0.42) ALDH1A1HSD17B10HPGDLMNACYP2C19

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
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