SCHEMBL20246778

SCHEMBL20246778

CC=CC1CCC(C2CCCC(c3ccc(OC)c(F)c3F)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 7/20 0.34
FEN1 P39748 7/20 0.34

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
SCHEMBL10030778 0.95 PDE5A (0.31)
SCHEMBL4549760 0.95 PDE5A (0.31)
SCHEMBL803246 0.91 HTR2C (0.33) ALOX5APFEN1
SCHEMBL4549750 0.91 HTR2C (0.33) ALOX5APFEN1
SCHEMBL8962530 0.87 ALOX5AP (0.35) ALOX5APFEN1
SCHEMBL19985535 0.86 ALOX5AP (0.33) ALOX5APFEN1
SCHEMBL13235367 0.84
SCHEMBL17522351 0.83
SCHEMBL8935215 0.83 ALOX5AP (0.37) ALOX5APFEN1
SCHEMBL20273235 0.83 ABCB1 (0.38) ALOX5APFEN1

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
EP-3093328-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-06-13 EP disclosed