SCHEMBL4776489

SCHEMBL4776489

C=CC(OCC1CO1)c1ccccc1.C=Cc1ccccc1CCl

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.30
GLA P06280 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
SCHEMBL1270207 0.89 TDP1 (0.41) TDP1ALDH1A1GLA
SCHEMBL194266 0.85 TDP1 (0.46) TDP1ALDH1A1GLA
Chlorobenzene SCHEMBL1194559 0.81 TDP1 (0.41) TDP1ALDH1A1GLA
SCHEMBL4830725 0.74 CASR (0.36) ALDH1A1
SCHEMBL6525597 0.71 HPGD (0.43) ALDH1A1
SCHEMBL194265 0.70 ALDH1A1 (0.43) TDP1ALDH1A1GLA
SCHEMBL29395089 0.70 ALDH1A1 (0.50) TDP1ALDH1A1
SCHEMBL15850 0.70 ALDH1A1 (0.50) TDP1ALDH1A1
SCHEMBL23855002 0.69 TDP1 (0.40) TDP1ALDH1A1GLA
SCHEMBL29393285 0.69 TDP1 (0.44) TDP1ALDH1A1GLA

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-20080230471-A1 FUNCTIONAL FILTER MEDIUM KURASHIKI TEXTILE MANUFACTURING CO. LTD. (JP) 2008-09-25 US disclosed