SCHEMBL31618367

SCHEMBL31618367

CCOC(=O)C(C=O)C1CCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.40
TSHR P16473 4/20 0.39
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL3455285 0.96 ALDH1A1 (0.47) ALDH1A1NPSR1L3MBTL1TSHRTHRB
SCHEMBL7136670 0.96 ALDH1A1 (0.47) ALDH1A1NPSR1L3MBTL1TSHRTHRB
SCHEMBL3856521 0.95 ALDH1A1 (0.49) ALDH1A1NPSR1L3MBTL1TSHRTHRB
SCHEMBL4371216 0.95 ALDH1A1 (0.49) ALDH1A1NPSR1L3MBTL1TSHRTHRB
SCHEMBL3646749 0.92 L3MBTL1 (0.42) ALDH1A1NPSR1L3MBTL1TSHRCYP2D6
SCHEMBL1459855 0.92 L3MBTL1 (0.42) ALDH1A1NPSR1L3MBTL1TSHRCYP2D6
SCHEMBL31711972 0.84 ALDH1A1 (0.43) ALDH1A1NPSR1L3MBTL1TSHRTRPM8
SCHEMBL10673098 0.82 GAA (0.41) ALDH1A1NPSR1L3MBTL1THRBATM
SCHEMBL1972760 0.81 THRB (0.42) ALDH1A1NPSR1TSHRTHRBSLC6A3
SCHEMBL28839132 0.80 TSHR (0.41) ALDH1A1NPSR1L3MBTL1TSHRTHRB

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
WO-2025119351-A1 GPR139 AGONIST 深圳湾实验室 2025-06-12 WO disclosed