SCHEMBL2476092

SCHEMBL2476092

COCOC(c1cc(OC)c(C)c(OC)c1)C(CCCc1ccccc1)Oc1ccc(Oc2cc(C)ccc2C(=O)OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 16/20 0.48
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LPAR2 Q9HBW0 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL972613 1.00 LPAR1 (0.48) LPAR1HSP90AA1MAPTHTTNPSR1
SCHEMBL2479468 0.89 LPAR1 (0.50) LPAR1HSP90AA1MAPTHTTNPSR1
SCHEMBL1014862 0.89 LPAR1 (0.50) LPAR1HSP90AA1MAPTHTTNPSR1
SCHEMBL972329 0.89 LPAR1 (0.52) LPAR1HSP90AA1MAPTHTTNPSR1
SCHEMBL6037763 0.89 LPAR1 (0.52) LPAR1HSP90AA1MAPTHTTNPSR1
SCHEMBL970994 0.89 LPAR1 (0.52) LPAR1HSP90AA1MAPTHTTNPSR1
SCHEMBL972615 0.83 LPAR1 (0.46) LPAR1LPAR2
SCHEMBL5573057 0.82 LPAR1 (0.60) LPAR1LPAR2
SCHEMBL5573045 0.82 LPAR1 (0.60) LPAR1LPAR2
SCHEMBL5573047 0.82 LPAR1 (0.60) LPAR1LPAR2

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
EP-1695955-B1 COMPOUNDS HAVING LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISM AND USES THEREOF ONO PHARMACEUTICAL CO (JP) 2011-10-12 EP disclosed
EP-1695955-A1 COMPOUNDS HAVING LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISM AND USES THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-30 EP disclosed