SCHEMBL28588564

SCHEMBL28588564

CCCCCC(OCC)C(=C(OC)C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.42
CTSG P08311 3/20 0.42
CTRB1 P17538 3/20 0.42
CMA1 P23946 3/20 0.42
ALDH1A1 P00352 1/20 0.40
NAAA Q02083 1/20 0.40
CNR2 P34972 1/20 0.39
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
HDAC2 Q92769 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL755236 0.78 TSHR (0.41) ALDH1A1CES1MEN1KMT2A
SCHEMBL8758263 0.75 PRSS1 (0.47) PRSS1CTSGCTRB1CMA1ALDH1A1
SCHEMBL11642274 0.72 HDAC2 (0.62) ALDH1A1HDAC2MEN1KMT2A
SCHEMBL4279863 0.71 TSHR (0.48) ALDH1A1CES2CES1MEN1KMT2A
SCHEMBL8092296 0.71 CES2 (0.53) NAAACES2CES1
SCHEMBL32074 0.70 CES2 (0.54) NAAACES2CES1
SCHEMBL7096425 0.70 CES2 (0.54) NAAACES2CES1
SCHEMBL3084634 0.70 CES2 (0.54) NAAACES2CES1
SCHEMBL3675571 0.69 PRSS1 (0.46) PRSS1CTSGCTRB1CMA1ALDH1A1
SCHEMBL5178120 0.69 PTGS2 (0.57) ALDH1A1NAAACES2CES1

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-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN disclosed