SCHEMBL9209293

SCHEMBL9209293

CCCCC=CCCCCC(C)(C)NCCC

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.43
CNR1 P21554 2/20 0.38
FAAH O00519 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
ACLY P53396 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36

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
SCHEMBL9211740 0.98 PPARA (0.46) PPARACNR1FAAHTRPV1ACLY
SCHEMBL9211452 0.98 PPARA (0.46) PPARACNR1FAAHTRPV1ACLY
SCHEMBL9209835 0.89 ACLY (0.38) PPARACNR1FAAHTRPV1ACLY
SCHEMBL9206205 0.85 FAAH (0.41) PPARACNR1FAAHTRPV1ACLY
SCHEMBL27743520 0.81 EPHX1 (0.39) PPARA
SCHEMBL2937545 0.81 EPHX1 (0.39) PPARA
SCHEMBL9206085 0.81 EPHX1 (0.39) PPARA
SCHEMBL9204096 0.81 EPHX1 (0.39) PPARA
SCHEMBL9205901 0.81 EPHX1 (0.39) PPARA
SCHEMBL26582082 0.81 TSHR (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed