SCHEMBL7285643

SCHEMBL7285643

O=Cc1c(OCC(=O)O)cc(OCC(=O)O)cc1OCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.50
ALOX15 P16050 2/20 0.47
ALDH1A1 P00352 1/20 0.44
TSHR P16473 2/20 0.43
PTPN7 P35236 1/20 0.43
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
PTPRB P23467 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.40
MCL1 Q07820 1/20 0.40
CD69 Q07108 1/20 0.40

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
SCHEMBL3453355 0.88 LMNA (0.52) PTGDR2ALOX15TSHRHSD17B10HPGD
SCHEMBL5556434 0.85 LMNA (0.57) PTGDR2LMNAPOLBSMN1; SMN2
SCHEMBL19617328 0.80 PTGDR2 (0.47) PTGDR2ALOX15ALDH1A1TSHRPTPN7
SCHEMBL4416927 0.80 MCL1 (0.50) PTGDR2ALOX15ALDH1A1TSHRPTPN7
SCHEMBL8791845 0.80 HPGD (0.57) ALOX15ALDH1A1PTPN7HSD17B10HPGD
SCHEMBL10661687 0.79 PTGDR2 (0.66) PTGDR2ALOX15ALDH1A1HSD17B10HPGD
SCHEMBL31562188 0.79 ERN1 (0.67) PTGDR2LMNAPOLBSMN1; SMN2
SCHEMBL31562314 0.79 L3MBTL1 (0.51) PTGDR2LMNASMN1; SMN2GLAL3MBTL1
SCHEMBL7284155 0.77 PTGDR2 (0.63) PTGDR2ALOX15ALDH1A1TSHRPTPN7
SCHEMBL28645298 0.77 ALOX15 (0.65) ALOX15ALDH1A1TSHRPTPN7HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4760064-A Cardiotonic agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-07-26 US disclosed
EP-0187322-A1 Carbostyril compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-07-16 EP disclosed