SCHEMBL8977097

SCHEMBL8977097

CCN(CC)c1ccc2c(c1)-c1cc(C)c(C)cc1C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.47
ALDH1A1 P00352 10/20 0.42
HSD17B10 Q99714 5/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
MAPT P10636 5/20 0.42
MAPK1 P28482 3/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TERT O14746 1/20 0.41
CYP3A4 P08684 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CES2 O00748 1/20 0.40
CASP1 P29466 3/20 0.39
CASP7 P55210 3/20 0.39
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL10343906 0.92 S100B (0.46) S100BALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL4897902 0.91 ALDH1A1 (0.49) S100BALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL29385647 0.91 ALDH1A1 (0.49) S100BALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL252074 0.87 S100B (0.42) S100BALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL6259364 0.86 S100B (0.43) S100BALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL28999884 0.86 S100B (0.41) S100BALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL27449891 0.84 ALDH1A1 (0.44) S100BALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL8666976 0.83 HSD17B10 (0.44) S100BALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL30194823 0.83 HSD17B10 (0.57) S100BALDH1A1HSD17B10L3MBTL1MAPT
SCHEMBL29068514 0.81 TERT (0.43) S100BALDH1A1HSD17B10L3MBTL1MAPT

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-0405946-B1 Method for producing a heat-sensitive recording material NEW OJI PAPER CO LTD (JP) 1996-04-03 EP disclosed
US-4954477-A HIGH SPEED, NONSTICKING KANZAKI PAPER MFG. CO., LTD. (JP) 1990-09-04 US disclosed
US-4833116-A MULTILAYER, COLOR IMAGES KANZAKI PAPER MFG. CO., LTD. (JP) 1989-05-23 US disclosed