SCHEMBL28836009

SCHEMBL28836009

[CH2]CCCC(Cl)C1CCCC1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.30
SHBG P04278 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
SCHEMBL28952846 0.98 EPHX1 (0.33) EPHX1SHBG
SCHEMBL28952617 0.95
SCHEMBL9847371 0.91
SCHEMBL28952649 0.86 EPHX1 (0.32) EPHX1SHBG
SCHEMBL28836007 0.84 EPHX1 (0.36) EPHX1SHBG
SCHEMBL28836084 0.81
SCHEMBL11872122 0.77 TP53 (0.32) EPHX1SHBG
SCHEMBL28753427 0.77 SHBG (0.39) SHBG
SCHEMBL4655180 0.76 EPHX1 (0.42) EPHX1SHBG
SCHEMBL8331691 0.76 SHBG (0.38) 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
CN-114989142-A Preparation method of pyrazole compound 沈阳万菱生物技术有限公司 2022-09-02 CN disclosed