SCHEMBL10699985

SCHEMBL10699985

C1=CC2OC2(OCC2CO2)C=C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL2282302 0.71
SCHEMBL30526267 0.68 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1
SCHEMBL27492701 0.67
SCHEMBL7201156 0.62 TSHR (0.35) ALDH1A1TSHRMAPK1TDP1
SCHEMBL3038861 0.60 TSHR (0.43) ALDH1A1TSHRMAPK1TDP1
SCHEMBL29414912 0.60 TSHR (0.43) ALDH1A1TSHRMAPK1TDP1
SCHEMBL28587888 0.59 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1TDP1
SCHEMBL9152286 0.58
SCHEMBL6384094 0.57 TSHR (0.40) ALDH1A1TSHRMAPK1TDP1
Water SCHEMBL29972679 0.56 TSHR (0.62) ALDH1A1TSHRMAPK1TDP1

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-0292750-A1 Aqueous polyurethane-ureas dispersions and their use for the production of coatings having improved humidity resistance MOBAY CORPORATION (US) 1988-11-30 EP disclosed