SCHEMBL29138316

SCHEMBL29138316

CCCCc1cccc(O)c1-c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.45
CTSG P08311 3/20 0.45
BID P55957 6/20 0.43
MCL1 Q07820 6/20 0.43
BCL2L1 Q07817 5/20 0.43
BAK1 Q16611 5/20 0.43
KAT8 Q9H7Z6 2/20 0.43
SAE1 Q9UBE0 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
TYR P14679 1/20 0.40
IAPP P10997 1/20 0.40
GCGR P47871 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
MMP2 P08253 2/20 0.38

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
SCHEMBL29138358 0.86 ELANE (0.46) ELANECTSGBIDMCL1BCL2L1
SCHEMBL548499 0.85 BID (0.50) ELANECTSGBIDMCL1BCL2L1
SCHEMBL324187 0.84 BID (0.49) ELANECTSGBIDMCL1BCL2L1
SCHEMBL11830553 0.84 BID (0.49) ELANECTSGBIDMCL1BCL2L1
SCHEMBL983846 0.81 BID (0.56) ELANECTSGBIDMCL1BCL2L1
SCHEMBL983932 0.79 BID (0.59) ELANECTSGBIDMCL1BCL2L1
SCHEMBL981892 0.79 BID (0.59) ELANECTSGBIDMCL1BCL2L1
SCHEMBL984109 0.79 BID (0.59) ELANECTSGBIDMCL1BCL2L1
SCHEMBL983657 0.79 BID (0.59) ELANECTSGBIDMCL1BCL2L1
SCHEMBL27929099 0.79 BID (0.59) ELANECTSGBIDMCL1BCL2L1

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-114957152-B Synthesis method of benzoxazole compound 湖南第一师范学院 2023-11-17 CN disclosed