SCHEMBL4664526

SCHEMBL4664526

CC(C)(C)C1CCC(=O)C(Br)C1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL21496691 0.79
SCHEMBL13196615 0.78
SCHEMBL9542609 0.77 CA1 (0.41) ALDH1A1GAAMAPTTP53HPGD
SCHEMBL722265 0.77 ALDH1A1 (0.32) ALDH1A1GAAMAPTTP53HPGD
SCHEMBL11141833 0.75 TLR4 (0.33) ALDH1A1GAAMAPTTP53HPGD
SCHEMBL8316823 0.75 ALDH1A1 (0.31) ALDH1A1GAAMAPTTP53HPGD
SCHEMBL7759296 0.75 ALDH1A1 (0.31) ALDH1A1GAAMAPTTP53HPGD
SCHEMBL8318312 0.75 ALDH1A1 (0.31) ALDH1A1GAAMAPTTP53HPGD
SCHEMBL8318307 0.75 ALDH1A1 (0.31) ALDH1A1GAAMAPTTP53HPGD
SCHEMBL8316819 0.75 ALDH1A1 (0.31) ALDH1A1GAAMAPTTP53HPGD

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-1562921-B1 PROCESS FOR PREPARING 2,6-DIAMINO-4,5,6,7-TETRAHYDRO-BENZOTHIAZOLE CIPLA LTD (IN) 2008-05-21 EP disclosed