SCHEMBL29144403

SCHEMBL29144403

CCCCCCCCCCCCc1cccc(C)c1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.46
TLR8 Q9NR97 6/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
BID P55957 3/20 0.43
MCL1 Q07820 3/20 0.43
BCL2L1 Q07817 2/20 0.43
BAK1 Q16611 2/20 0.43
KAT8 Q9H7Z6 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
EP300 Q09472 1/20 0.43
KAT2A Q92830 1/20 0.43
KAT2B Q92831 1/20 0.43
KAT5 Q92993 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL8100321 0.90 LIPG (0.49) LIPGTLR8CYSLTR2CYSLTR1BID
SCHEMBL8087327 0.90 LIPG (0.49) LIPGTLR8CYSLTR2CYSLTR1BID
SCHEMBL8102396 0.90 LIPG (0.49) LIPGTLR8CYSLTR2CYSLTR1BID
SCHEMBL8096674 0.90 LIPG (0.51) LIPGTLR8CYSLTR2CYSLTR1BID
SCHEMBL8101482 0.90 LIPG (0.51) LIPGTLR8CYSLTR2CYSLTR1BID
SCHEMBL8095441 0.90 LIPG (0.51) LIPGTLR8CYSLTR2CYSLTR1BID
SCHEMBL8095162 0.89 TLR8 (0.49) LIPGTLR8CYSLTR2CYSLTR1BID
SCHEMBL8099594 0.89 LIPG (0.49) LIPGTLR8BIDMCL1BCL2L1
SCHEMBL3608058 0.88 KCNH2 (0.43) LIPGTLR8KCNH2
SCHEMBL29151817 0.88 KCNH2 (0.43) LIPGTLR8KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115672328-B Organic hydrogen storage catalyst, preparation method and application thereof 金宏气体股份有限公司 2024-06-28 CN disclosed
CN-117548098-A Preparation process of high-activity alumina-supported platinum catalyst, catalyst and application of catalyst 北京东方红升新能源应用技术研究院有限公司 2024-02-13 CN disclosed
CN-113546623-B Rare earth composite organic hydrogen storage and carrying catalytic active substance, carrier and application 金宏气体股份有限公司 2024-01-30 CN disclosed
CN-114436208-B Catalytic hydrogen supply system based on organic liquid and hydrogen supply method thereof 北京东方红升新能源应用技术研究院有限公司 2023-12-05 CN disclosed
CN-114436208-B Catalytic hydrogen supply system based on organic liquid and hydrogen supply method thereof 北京东方红升新能源应用技术研究院有限公司 2023-12-05 CN disclosed