SCHEMBL9404192

SCHEMBL9404192

FC=CC(F)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.32
SHBG P04278 1/20 0.32
TP53 P04637 1/20 0.30

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
SCHEMBL9405328 0.72 DPP4 (0.33) EPHX1SHBGTP53
SCHEMBL14418629 0.72 ADH1A (0.39) EPHX1SHBGTP53
SCHEMBL3018849 0.66 EPHX1 (0.41) EPHX1SHBGTP53
SCHEMBL3017648 0.66 EPHX1 (0.41) EPHX1SHBGTP53
SCHEMBL17816143 0.66 EPHX1 (0.41) EPHX1SHBGTP53
SCHEMBL1030917 0.66
SCHEMBL17816102 0.66 EPHX1 (0.41) EPHX1SHBGTP53
SCHEMBL3006612 0.62
SCHEMBL15241788 0.62 SHBG (0.39) EPHX1SHBGTP53
SCHEMBL3995621 0.61

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
JP-6192142-A None JP disclosed
JP-H06192142-A DIFLUOROALKYLCYCLOHEXANE DERIVATIVE DAINIPPON INK & CHEM INC 1994-07-12 JP disclosed