SCHEMBL28664906

SCHEMBL28664906

CCCCCCCCCCCCCCCCn1c(C=CCCC(=O)OC)nc2nc(Cl)nc(Cl)c21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.36
▸ ALOX5 P09917 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ OXER1 Q8TDS5 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ FAAH O00519 2/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ FPR2 P25090 2/20 0.32
▸ CNR1 P21554 1/20 0.31

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
SCHEMBL24476534 0.75 KAT2B (0.40) ALDH1A1FAAHTLR7
SCHEMBL24476394 0.75 KAT2B (0.40) ALDH1A1FAAHTLR7
SCHEMBL24476383 0.75 KAT2B (0.40) ALDH1A1FAAHTLR7
SCHEMBL24476304 0.75 KAT2B (0.40) ALDH1A1FAAHTLR7
SCHEMBL24476365 0.75 ALDH1A1 (0.41) ALDH1A1GAAFAAHFPR2
SCHEMBL24476353 0.74 FAAH (0.41) EPHX2ALDH1A1FAAHTLR7
SCHEMBL24476406 0.74 KAT2B (0.39) ALDH1A1FAAHTLR7
SCHEMBL24476362 0.74 FAAH (0.39) EPHX2ALDH1A1HPGDFAAHTLR7
SCHEMBL24476399 0.73 FAAH (0.40) EPHX2ALDH1A1FAAHTLR7
SCHEMBL24476490 0.72 KAT2B (0.38) ALDH1A1GAAFAAHTLR7

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-113645977-A Compounds, compositions and methods for treatment of disease F-星治疗公司 2021-11-12 — — CN disclosed
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