SCHEMBL28330482

SCHEMBL28330482

CC1(/C=C/c2ccccc2)CCCO1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GLA P06280 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAOB P27338 1/20 0.34
ALOX15 P16050 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR2A P28223 3/20 0.33
CHAT P28329 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL29108883 0.80 MEN1 (0.36) MEN1MAPTKMT2ANPSR1GLA
SCHEMBL4466511 0.80 MAOB (0.41) MEN1MAPTKMT2ANPSR1GLA
SCHEMBL9616711 0.78 CYP1A2 (0.38) MEN1MAPTKMT2ANPSR1GLA
SCHEMBL12809704 0.74 GLA (0.39) MEN1MAPTKMT2ANPSR1GLA
SCHEMBL13883766 0.74 MAOB (0.39) MEN1MAPTKMT2AGLATDP1
SCHEMBL9311411 0.72 GLA (0.33) MEN1MAPTKMT2ANPSR1GLA
SCHEMBL5806530 0.72 NPSR1 (0.33) MEN1MAPTKMT2ANPSR1GLA
SCHEMBL27593238 0.71 MEN1 (0.44) MEN1MAPTKMT2ANPSR1GLA
SCHEMBL994272 0.71 MAOB (0.33) MEN1MAPTKMT2ANPSR1GLA
SCHEMBL547380 0.71 TRPA1 (0.33) MEN1MAPTKMT2ANPSR1GLA

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-110494428-A The cyclization method and its product of hydroxyalkenoic acid YISSUM RES DEV CO OF HEBREW UNIV JERUSALEM LTD 2019-11-22 CN disclosed