SCHEMBL7365552

SCHEMBL7365552

CCc1cc(C)[c]c(-c2cc(C)cc(CC)c2)c1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.30
HEXB P07686 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
SCHEMBL15067947 0.82 PTGS2 (0.33)
SCHEMBL1395968 0.75 PTGS2 (0.37)
SCHEMBL27885932 0.73 ALDH1A1 (0.33)
SCHEMBL5490825 0.70 PGK1 (0.44)
SCHEMBL168174 0.70 PGK1 (0.44)
SCHEMBL271754 0.70 ALDH1A1 (0.42)
Ammonia Solution, Strong SCHEMBL5606944 0.67 PGK1 (0.42)
SCHEMBL509622 0.67 PTGS2 (0.32)
SCHEMBL15067334 0.66 HTT (0.38)
SCHEMBL14612355 0.65 PTGS2 (0.33)

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
EP-0483271-A1 PEPTIDES CONTAINING DIAMINO-GLYCOLS AS TRANSITION-STATE MIMICS. UPJOHN CO (US) 1992-05-06 EP disclosed
WO-1991001327-A1 PEPTIDES CONTAINING DIAMINO-GLYCOLS AS TRANSITION-STATE MIMICS THE UPJOHN COMPANY (US) 1991-02-07 WO disclosed