SCHEMBL29629266

SCHEMBL29629266

c1ccc2nc3cccc(CCCCCCCCc4cccc5nc6ccccc6cc45)c3cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
GLA P06280 3/20 0.53
HPGD P15428 3/20 0.53
KDM4E B2RXH2 3/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 2/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
PTBP1 P26599 1/20 0.53
RAB9A P51151 1/20 0.53
RCE1 Q9Y256 1/20 0.53
TLR8 Q9NR97 12/20 0.50
MAPT P10636 2/20 0.48
ACHE P22303 1/20 0.48
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL195797 1.00 ALDH1A1 (0.53) ALDH1A1GLAHPGDKDM4EKMT2A
SCHEMBL30434810 1.00 ALDH1A1 (0.53) ALDH1A1GLAHPGDKDM4EKMT2A
SCHEMBL28491074 1.00 ALDH1A1 (0.53) ALDH1A1GLAHPGDKDM4EKMT2A
SCHEMBL22497413 0.95 ALDH1A1 (0.55) ALDH1A1GLAHPGDKDM4EKMT2A
SCHEMBL20571255 0.94 TLR8 (0.49) ALDH1A1GLAHPGDKDM4EKMT2A
SCHEMBL916064 0.92 TLR8 (0.61) ALDH1A1GLAHPGDKDM4EKMT2A
SCHEMBL21551636 0.92 TLR8 (0.61) ALDH1A1GLAHPGDKDM4EKMT2A
SCHEMBL722159 0.92 TLR8 (0.61) ALDH1A1GLAHPGDKDM4EKMT2A
SCHEMBL30593398 0.92 TLR8 (0.61) ALDH1A1GLAHPGDKDM4EKMT2A
SCHEMBL8003645 0.92 TLR8 (0.61) ALDH1A1GLAHPGDKDM4EKMT2A

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-110382561-B Sealing composition 味之素株式会社 2023-01-31 CN disclosed
CN-111757910-B Sealing resin composition 味之素株式会社 2022-06-24 CN disclosed