SCHEMBL30864381

SCHEMBL30864381

CCCCCCCC/C=C\CCCCCCCC(=O)OCC1CO1.CCCCCCCC/C=C\CCCCCCCC(=O)OCC1CO1.CCCCCCCC/C=C\CCCCCCCC(=O)OCC1CO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.61
DGKA P23743 1/20 0.53
LPAR3 Q9UBY5 1/20 0.52

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
SCHEMBL21582226 1.00 LPAR1 (0.61) LPAR1DGKALPAR3
SCHEMBL471851 1.00 LPAR1 (0.61) LPAR1DGKALPAR3
SCHEMBL258047 1.00 LPAR1 (0.61) LPAR1DGKALPAR3
SCHEMBL4979121 1.00 LPAR1 (0.61) LPAR1DGKALPAR3
Methane SCHEMBL11454502 0.99 LPAR1 (0.60) LPAR1DGKALPAR3
SCHEMBL29269177 0.97 LPAR1 (0.58) LPAR1DGKA
SCHEMBL29269176 0.97 LPAR1 (0.58) LPAR1DGKA
SCHEMBL23391365 0.96 LPAR1 (0.57) LPAR1
SCHEMBL1374046 0.96 LPAR1 (0.57) LPAR1
SCHEMBL28659546 0.93 LPAR1 (0.53) LPAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118079006-A Skin composition 国立大学法人东京医科齿科大学 2024-05-28 CN disclosed
CN-113874044-B Skin composition 国立大学法人东京医科齿科大学 2024-03-29 CN disclosed