SCHEMBL29067601

SCHEMBL29067601

CCCCCCCCCCCc1c(N)cc(C(=O)c2ccccc2)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
NAAA Q02083 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CNR2 P34972 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
PBRM1 Q86U86 1/20 0.42
MAPK1 P28482 2/20 0.41
CNR1 P21554 1/20 0.41
MAPT P10636 2/20 0.41
PTGS1 P23219 2/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
PTGS2 P35354 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL29067600 1.00 CES2 (0.45) CES2CES1NAAAALDH1A1CNR2
SCHEMBL29067604 1.00 CES2 (0.45) CES2CES1NAAAALDH1A1CNR2
SCHEMBL29067594 1.00 CES2 (0.45) CES2CES1NAAAALDH1A1CNR2
SCHEMBL29067602 1.00 CES2 (0.45) CES2CES1NAAAALDH1A1CNR2
Benzophenone SCHEMBL27879973 0.80 ALDH1A1 (0.64) CES2CES1NAAAALDH1A1CNR2
Tetradecane SCHEMBL27879974 0.80 ALDH1A1 (0.64) CES2CES1NAAAALDH1A1CNR2
Benzophenone SCHEMBL28860378 0.80 ALDH1A1 (0.64) CES2CES1NAAAALDH1A1CNR2
SCHEMBL1963286 0.80 MAPT (0.45) CES2CES1NAAAALDH1A1CNR2
Benzophenone SCHEMBL23014697 0.79 ALDH1A1 (0.67) CES2CES1NAAAALDH1A1CNR2
SCHEMBL39503 0.78 KAT8 (0.44) PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116731663-A Polyimide adhesive for packaging power semiconductor and preparation method thereof 株洲时代新材料科技股份有限公司 2023-09-12 CN claimed
CN-116731663-A Polyimide adhesive for packaging power semiconductor and preparation method thereof 株洲时代新材料科技股份有限公司 2023-09-12 CN disclosed