SCHEMBL20054809

SCHEMBL20054809

C=C(C)[C@H]1CCCC(F)(F)CC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP1B1 Q16678 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL6899942 0.78 ALOX15 (0.32) ALOX15CYP1B1ALDH1A1
SCHEMBL20054783 0.76 ALDH1A1 (0.37) ALOX15CYP1B1ALDH1A1
SCHEMBL27351221 0.74 EPHX2 (0.36) EPHX2
SCHEMBL1437686 0.74
SCHEMBL27813655 0.74
SCHEMBL24337131 0.72 TSHR (0.39) EPHX2ALOX15
SCHEMBL23883322 0.72 EPHX2 (0.36) EPHX2
SCHEMBL307206 0.71
SCHEMBL4359650 0.71 CES2 (0.43) ALOX15CYP1B1ALDH1A1
SCHEMBL19592405 0.70 ALOX15 (0.35) EPHX2ALOX15CYP1B1ALDH1A1

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-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed