SCHEMBL5707369

SCHEMBL5707369

[CH2]C(CCC1CC1)C1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.34
EPHX1 P07099 1/20 0.31
SHBG P04278 1/20 0.31
CYP1A2 P05177 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
SCHEMBL28405594 0.95 METAP1 (0.31) METAP1
SCHEMBL21753853 0.93 METAP1 (0.41) METAP1EPHX1SHBGCYP1A2
SCHEMBL21753846 0.93 METAP1 (0.37) METAP1EPHX1SHBGCYP1A2
SCHEMBL4449485 0.93 METAP1 (0.41) METAP1EPHX1SHBGCYP1A2
SCHEMBL14931538 0.93 METAP1 (0.41) METAP1EPHX1SHBGCYP1A2
SCHEMBL9213385 0.75 EPHX1 (0.33) EPHX1SHBG
SCHEMBL17416290 0.74
SCHEMBL5720721 0.73 EPHX1 (0.37) EPHX1SHBGCYP1A2
SCHEMBL9213591 0.73 EPHX1 (0.37) EPHX1SHBG
SCHEMBL9213422 0.71 EPHX1 (0.31) EPHX1SHBG

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-1020439-B1 CETP ACTIVITY INHIBITORS JAPAN TOBACCO INC (JP) 2006-08-30 EP disclosed