SCHEMBL8777617

SCHEMBL8777617

CCc1c(C(OC)c2ccc(N(C)C)cc2)c2ccccc2n1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
MAPT P10636 5/20 0.38
HTT P42858 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 3/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
RXFP1 Q9HBX9 2/20 0.34

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
SCHEMBL8777790 0.87 CYP19A1 (0.43) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL8777611 0.82 ALDH1A1 (0.38) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL8777552 0.78 CYP19A1 (0.43) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL8777753 0.77 CNR2 (0.42) ALDH1A1HTTKDM4ENPSR1MAPK1
SCHEMBL8777573 0.77 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8777527 0.76 CYP19A1 (0.42) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL8777728 0.76 VDR (0.40) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL10834698 0.75 CYP19A1 (0.41) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL8777656 0.75 GAA (0.38) ALDH1A1MAPTHTTKDM4ENPC1
SCHEMBL11190462 0.74 ALDH1A1 (0.41) ALDH1A1MAPTHTTMEN1KMT2A

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