SCHEMBL16359540

SCHEMBL16359540

CCC(=O)C1CCC(=C(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL256670 0.78
SCHEMBL15116626 0.77 LMNA (0.35)
SCHEMBL28440346 0.77 ESR2 (0.32)
SCHEMBL15105594 0.76 MAPT (0.46) ALDH1A1MAPTTDP1
SCHEMBL10253143 0.75 ESR2 (0.31)
SCHEMBL849145 0.74 GABRP (0.41) ALDH1A1POLBMAPTTDP1
SCHEMBL15113761 0.72
SCHEMBL256032 0.71
SCHEMBL27787478 0.71 TDP1 (0.33) ALDH1A1MAPTTDP1
SCHEMBL2128026 0.71

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
WO-2015005901-A1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 WO disclosed
WO-2013106520-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 WO disclosed