SCHEMBL9629992

SCHEMBL9629992

O=C1COCC(COc2ccccc2)O1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
GRM2 Q14416 11/20 0.50
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 2/20 0.39

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
SCHEMBL20617560 0.78 TDP1 (0.61) TDP1GRM2MAPK1L3MBTL1ALDH1A1
SCHEMBL3622914 0.78 TDP1 (0.56) TDP1GRM2MAPK1L3MBTL1ALDH1A1
SCHEMBL1324044 0.78 TDP1 (0.61) TDP1GRM2MAPK1L3MBTL1ALDH1A1
SCHEMBL11609580 0.74 TDP1 (0.51) TDP1GRM2MAPK1L3MBTL1ALDH1A1
SCHEMBL9512301 0.74 TDP1 (0.51) TDP1GRM2MAPK1L3MBTL1
SCHEMBL1582872 0.74 TDP1 (1.00) TDP1GRM2ALDH1A1TP53CYP3A4
SCHEMBL17028904 0.74 TDP1 (1.00) TDP1GRM2ALDH1A1TP53CYP3A4
SCHEMBL31220 0.74 TDP1 (1.00) TDP1GRM2ALDH1A1TP53CYP3A4
SCHEMBL1583161 0.74 TDP1 (1.00) TDP1GRM2ALDH1A1TP53CYP3A4
SCHEMBL1667359 0.73 TDP1 (0.76) TDP1GRM2ALDH1A1TP53CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0302007-B1 HYDROXYETHER-CARBOXYLIC ACIDS AND LACTONES THEREOF, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS CORROSION INHIBITORS CIBA-GEIGY AG (CH) 1992-05-13 EP disclosed
US-5055230-A Coating a metal surface with an aqueous system CIBA-GEIGY CORPORATION (US) 1991-10-08 US disclosed
EP-0302007-A1 Hydroxyether-carboxylic acids and lactones thereof, process for their production and their use as corrosion inhibitors CIBA-GEIGY AG (CH) 1989-02-01 EP disclosed