SCHEMBL13447458

SCHEMBL13447458

CC(O)CC(O)[C@H](O)CCO

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
THRB P10828 1/20 0.35
TSHR P16473 3/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 1/20 0.30
TRPA1 O75762 1/20 0.30
ALOX15 P16050 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
SCHEMBL15484184 1.00 TDP1 (0.40) TDP1THRBTSHRALDH1A1MAPK1
SCHEMBL16460136 0.91 TRPV1 (0.34) TDP1TRPA1
SCHEMBL622960 0.84 TRPV1 (0.37) TDP1TSHRTRPA1
SCHEMBL6423646 0.82 TRPV1 (0.41) TDP1TSHRALDH1A1TRPA1
SCHEMBL29876881 0.82 TSHR (0.47) TDP1TSHRALDH1A1MAPK1TRPA1
SCHEMBL16074809 0.81 TDP1 (0.38) TDP1THRBTSHRALDH1A1
SCHEMBL4154359 0.79 TSHR (0.46) TDP1THRBTSHRALDH1A1TRPA1
SCHEMBL1491969 0.78 THRB (0.50) TDP1THRBTSHRALDH1A1
SCHEMBL26509369 0.78 THRB (0.50) TDP1THRBTSHRALDH1A1
SCHEMBL13669944 0.78 THRB (0.50) TDP1THRBTSHRALDH1A1

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-20100068474-A1 COATED MOLECULAR SIEVE NANOSCAPE AG (DE) 2010-03-18 US disclosed