SCHEMBL30688451

SCHEMBL30688451

O=Cc1cccc(C#CCCO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
ASIC3 Q9UHC3 1/20 0.45
ALDH1A1 P00352 1/20 0.43
UNG P13051 1/20 0.40
EGFR P00533 1/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SRC P12931 1/20 0.36
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
FBP1 P09467 2/20 0.34
PTPRC P08575 1/20 0.34
PTPRG P23470 1/20 0.34
GRIK1 P39086 1/20 0.34
GRIK3 Q13003 1/20 0.34

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
SCHEMBL3899508 1.00 FFAR1 (0.50) FFAR1ASIC3ALDH1A1UNGEGFR
SCHEMBL2560355 0.86 FFAR1 (0.52) FFAR1ALDH1A1UNGEGFRSRC
SCHEMBL29622517 0.86 FFAR1 (0.52) FFAR1ALDH1A1UNGEGFRSRC
SCHEMBL9559955 0.82 FFAR1 (0.52) FFAR1ALDH1A1UNGHTR2CHTR2B
SCHEMBL493774 0.81 FFAR1 (0.45) FFAR1ALDH1A1
SCHEMBL10633500 0.80 FFAR1 (0.58) FFAR1ALDH1A1UNGSRCTRIM24
SCHEMBL9700186 0.80 KCNH2 (0.45) FFAR1ALDH1A1
SCHEMBL2562582 0.79 HRH3 (0.40) FFAR1ALDH1A1EGFRPTPRCPTPRG
SCHEMBL7680519 0.78 KCNH2 (0.48) FFAR1ALDH1A1
SCHEMBL10795164 0.78 KCNH2 (0.48) FFAR1ALDH1A1

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-111491939-B Immunoproteasome inhibitors 普林斯匹亚生物制药公司 2023-12-26 CN disclosed