SCHEMBL6831358

SCHEMBL6831358

CCCCCCCCC=CCCCCCCCCOC(C)(C[N+](C)(C)C)OCCCCCCCCC=CCCCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 3/20 0.44
LPAR3 Q9UBY5 3/20 0.44
LPAR1 Q92633 2/20 0.44
FAAH O00519 2/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL1906179 1.00 LPAR2 (0.44) LPAR2LPAR3LPAR1FAAHTRPV1
Hydrochloric Acid SCHEMBL7147494 0.98 LPAR2 (0.42) LPAR2LPAR3LPAR1FAAHTRPV1
SCHEMBL1127954 0.91 DNM1 (0.39)
SCHEMBL16311960 0.80 LPAR2 (0.50) LPAR2LPAR3LPAR1FAAHTRPV1
SCHEMBL18184028 0.80 LPAR2 (0.50) LPAR2LPAR3LPAR1FAAHTRPV1
SCHEMBL25804968 0.77 LPAR1 (0.37) LPAR2LPAR3LPAR1
SCHEMBL2301357 0.76 LPAR2 (0.44) LPAR2LPAR3LPAR1FAAHTRPV1
SCHEMBL5514820 0.76 LPAR3 (0.44) LPAR2LPAR3LPAR1FAAHTRPV1
SCHEMBL16311959 0.75 ALDH1A1 (0.51) TRPV1
Hydrochloric Acid SCHEMBL8715666 0.75 LPAR3 (0.42) LPAR2LPAR3LPAR1FAAHTRPV1

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
US-6743902-B1 FOR USE IN ANTISENSE THERAPY FOR ENHANCING NUCLEASE RESISTANCE AND CELLULAR UPTAKE VALEANT PHARMACEUTICALS INTERNATIONAL 2004-06-01 US disclosed
US-5681940-A CONTAIN TETRAHYDROTHIOPHENE OR PYROLIDINE RINGS ICN PHARMACEUTICALS (US) 1997-10-28 US disclosed