SCHEMBL29360674

SCHEMBL29360674

CC(C)(c1ccc(Oc2ccc(N)cc2C#N)cc1)c1cccc(C(C)(C)c2ccc(Oc3ccc(N)cc3C#N)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
SCN9A Q15858 1/20 0.38
AR P10275 8/20 0.36
SLC22A12 Q96S37 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PLA2G7 Q13093 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 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
SCHEMBL1856981 1.00 ALDH1A1 (0.49) ALDH1A1KDM4EUSP2GAAPOLB
SCHEMBL8538092 0.94 ALDH1A1 (0.50) ALDH1A1KDM4EUSP2GAAPOLB
SCHEMBL8490121 0.93 ALDH1A1 (0.55) ALDH1A1KDM4EUSP2GAAPOLB
SCHEMBL19426415 0.82 CYP19A1 (0.48) ALDH1A1POLBNPC1RAB9AHPGD
SCHEMBL8536725 0.81 POLB (0.59) ALDH1A1GAAPOLBMAPTNPC1
SCHEMBL1855632 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EGAAPOLBMAPT
SCHEMBL1855537 0.80 MAPT (0.41) ALDH1A1KDM4EGAAPOLBMAPT
SCHEMBL1858136 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EGAAPOLBMAPT
SCHEMBL202668 0.79 ALDH1A1 (0.61) ALDH1A1KDM4EGAAPOLBMAPT
SCHEMBL1855521 0.78 L3MBTL1 (0.44) ALDH1A1GAAPOLBMAPTNPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117642285-A Laminate body 东洋纺株式会社 2024-03-01 CN disclosed