SCHEMBL7436351

SCHEMBL7436351

NCC(O)C1COc2c(cc(Cl)c(Cl)c2Cl)O1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.33
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 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
SCHEMBL7429632 0.88 KDM4E (0.31) KDM4EALDH1A1GAA
SCHEMBL7434907 0.82 CA2 (0.43) KDM4EALDH1A1GAA
SCHEMBL10993826 0.78 BACE1 (0.32)
SCHEMBL7444229 0.77 CA2 (0.39) KDM4EALDH1A1GAA
SCHEMBL7446683 0.76 HTR1A (0.32)
SCHEMBL7446163 0.76
SCHEMBL7439821 0.73 CA2 (0.46)
SCHEMBL7438907 0.73 CA2 (0.46) AHRKDM4EALDH1A1GAA
SCHEMBL7442008 0.72
SCHEMBL7439944 0.71 KDM4E (0.35) KDM4EALDH1A1

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
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed