SCHEMBL28599247

SCHEMBL28599247

CCCCCCC(Cc1ccco1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 2/20 0.44
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
PTGES O14684 4/20 0.42
ALOX5 P09917 4/20 0.42
PPARG P37231 4/20 0.42
CA2 P00918 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
GPR84 Q9NQS5 3/20 0.40
FOLH1 Q04609 2/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL22551032 0.94 MAPK1 (0.47) SLC1A2SLC1A1PTGESALOX5PPARG
SCHEMBL29793786 0.92 EPHX2 (0.43)
SCHEMBL9183245 0.89 ALDH1A1 (0.42) ALDH1A1THRATHRB
SCHEMBL1532410 0.88 TDP1 (0.47) GRIK1GRIK2SLC1A2SLC1A1MAPK1
SCHEMBL7086052 0.87 CA2 (0.42) GRIK1GRIK2ALOX5CA2ALDH1A1
SCHEMBL30505636 0.87 ELANE (0.45) SLC1A2SLC1A1PTGESALOX5PPARG
SCHEMBL3931357 0.82 NR4A2 (0.47) SLC1A2SLC1A1ALOX5PPARGALDH1A1
SCHEMBL18339092 0.81 NPC1 (0.42) SLC1A2SLC1A1MAPK1ALDH1A1
SCHEMBL4828322 0.79 MAPT (0.39) ALDH1A1THRATHRB
SCHEMBL23870570 0.77 MAPT (0.39) ALDH1A1THRATHRB

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