SCHEMBL8777784

SCHEMBL8777784

CCn1c(C)c(C(COCC(c2ccc(N(C)C)cc2)c2c(C)n(CC)c3ccccc23)c2ccc(N(C)C)cc2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.42
ALDH1A1 P00352 9/20 0.41
KMT2A Q03164 7/20 0.41
MAPT P10636 6/20 0.41
MEN1 O00255 6/20 0.41
KDM4E B2RXH2 4/20 0.41
HTT P42858 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
GAA P10253 3/20 0.38
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL8777569 0.88 ALDH1A1 (0.45) CYP19A1ALDH1A1KMT2AMAPTMEN1
SCHEMBL8777611 0.87 ALDH1A1 (0.38) CYP19A1ALDH1A1KMT2AMAPTMEN1
SCHEMBL8777748 0.87 CNR2 (0.42) ALDH1A1MAPTKDM4EHTT
SCHEMBL8777654 0.85 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL11224899 0.84 ALDH1A1 (0.46) CYP19A1ALDH1A1KMT2AMAPTMEN1
SCHEMBL9656627 0.84 ALDH1A1 (0.48) CYP19A1ALDH1A1KMT2AMAPTMEN1
SCHEMBL9657922 0.84 ALDH1A1 (0.48) CYP19A1ALDH1A1KMT2AMAPTMEN1
SCHEMBL8777552 0.83 CYP19A1 (0.43) CYP19A1ALDH1A1KMT2AMAPTMEN1
SCHEMBL8777790 0.82 CYP19A1 (0.43) CYP19A1ALDH1A1KMT2AMAPTMEN1
SCHEMBL10729723 0.81 CYP19A1 (0.44) CYP19A1ALDH1A1KMT2AMAPTMEN1

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