SCHEMBL10523596

SCHEMBL10523596

CCCCCCCC/C=C\CCCCCCCCOC(C)S(=O)(=O)O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
LPAR3 Q9UBY5 3/20 0.45
LPAR1 Q92633 2/20 0.45
LPAR2 Q9HBW0 2/20 0.45
PPARA Q07869 2/20 0.45
EPHX2 P34913 1/20 0.43
FAAH O00519 3/20 0.43
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL10524121 0.90 CA1 (0.44) LPAR3LPAR1EPHX2
SCHEMBL11583232 0.83 RECQL (0.46) ALDH1A1CNR1CNR2LPAR3LPAR1
SCHEMBL11583237 0.83 RECQL (0.46) ALDH1A1CNR1CNR2LPAR3LPAR1
SCHEMBL28326935 0.82 TP53 (0.37) ALDH1A1CNR1CNR2EPHX2
SCHEMBL5889346 0.78 ALDH1A1 (0.51) ALDH1A1CNR1CNR2LPAR3LPAR1
Sulfuric Acid SCHEMBL1007455 0.78 EPHX2 (0.53) LPAR3LPAR1LPAR2PPARAEPHX2
Sulfuric Acid SCHEMBL29370552 0.78 EPHX2 (0.53) LPAR3LPAR1LPAR2PPARAEPHX2
Sulfuric Acid SCHEMBL1007458 0.78 EPHX2 (0.53) LPAR3LPAR1LPAR2PPARAEPHX2
SCHEMBL3751817 0.78 ALDH1A1 (0.57) ALDH1A1CNR1CNR2LPAR3LPAR1
SCHEMBL11877146 0.78 ALDH1A1 (0.57) ALDH1A1CNR1CNR2LPAR3LPAR1

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
US-4812336-A WRINKLING PAINT, CREPE TEXTURE NIPPON OIL AND FATS CO., LTD. (JP) 1989-03-14 US disclosed