SCHEMBL21753906

SCHEMBL21753906

CC(C)Nc1ccc(-c2cccc3c2Cc2ccccc2-3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
RECQL P46063 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PNMT P11086 1/20 0.41
CYP1A2 P05177 2/20 0.39
HTR2B P41595 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
ADRA2A P08913 1/20 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
SCHEMBL20640474 0.83 RAB9A (0.45) RAB9ANPC1CYP3A4HSD17B10TSHR
SCHEMBL20640482 0.79 PNMT (0.44) RAB9ANPC1CYP3A4HSD17B10LMNA
SCHEMBL19001984 0.78 PNMT (0.42) TDP1RAB9ANPC1CYP3A4HSD17B10
SCHEMBL21358352 0.77 PNMT (0.47) RAB9ANPC1LMNAPNMTHTR2B
SCHEMBL28928665 0.77 PNMT (0.50) RAB9ANPC1PNMTHTR2BHTR7
SCHEMBL21753915 0.77 PNMT (0.42) RAB9ANPC1CYP3A4HSD17B10PNMT
SCHEMBL29809707 0.76 PNMT (0.53) RAB9ANPC1PNMTHTR2BHTR7
SCHEMBL70992 0.76 PNMT (0.53) RAB9ANPC1PNMTHTR2BHTR7
SCHEMBL29401802 0.76 PNMT (0.53) RAB9ANPC1PNMTHTR2BHTR7
SCHEMBL3676657 0.75 RAB9A (0.41) TDP1RAB9ANPC1CYP3A4HSD17B10

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
CN-112543783-A Prepreg 东丽株式会社 2021-03-23 CN disclosed
CN-110914355-A Resin composition 赫克塞尔合成有限公司 2020-03-24 CN disclosed
WO-2020040200-A1 PREPREG 東レ株式会社 2020-02-27 WO disclosed