SCHEMBL28237277

SCHEMBL28237277

CCCCCOC(=O)C[C@H](C)CC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.57
NPSR1 Q6W5P4 2/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RAD52 P43351 1/20 0.49
FAAH O00519 1/20 0.47
DGKA P23743 1/20 0.47
HTR2C P28335 1/20 0.46
EPHX1 P07099 1/20 0.44
TSHR P16473 3/20 0.43
ALDH1A1 P00352 1/20 0.42
HCAR2 Q8TDS4 2/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 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
SCHEMBL28393305 0.98 NAAA (0.60) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL8819259 0.98 NAAA (0.60) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL28117429 0.86 ALDH1A1 (0.52) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL2356624 0.86 ELANE (0.39) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL17350548 0.86 ELANE (0.41) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL30871957 0.85 NAAA (0.53) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL1774027 0.84 NAAA (0.61) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL30871921 0.84 NAAA (0.56) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL2250072 0.83 NAAA (0.37) NAAANPSR1MAPTMAPK1L3MBTL1
SCHEMBL28132931 0.83 NAAA (0.50) NAAANPSR1MAPTMAPK1L3MBTL1

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-108473484-A Compounds useful as TRPM8 modulators 赛诺米克斯公司 2018-08-31 CN disclosed