SCHEMBL9345554

SCHEMBL9345554

CCOC(=O)C(CC)C(=O)c1ccccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
HPGD P15428 2/20 0.61
RECQL P46063 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TSHR P16473 3/20 0.49
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 3/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MMP8 P22894 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL9348453 0.82 TSHR (0.50) GAAHPGDRECQLSMN1; SMN2TSHR
SCHEMBL9348510 0.81 MAPT (0.48) GAAHPGDRECQLSMN1; SMN2TSHR
SCHEMBL5450997 0.78 MEN1 (0.56) GAAHPGDRECQLSMN1; SMN2TSHR
SCHEMBL6426467 0.76 TSHR (0.48) GAAHPGDRECQLSMN1; SMN2TSHR
SCHEMBL16768173 0.76 FNTA (0.46) GAAHPGDRECQLSMN1; SMN2TSHR
Ethyl Salicylate SCHEMBL39622 0.75 TSHR (0.77) HPGDTSHRCA12CA1CA2
SCHEMBL7776756 0.75 KDM4E (0.50) GAAHPGDRECQLSMN1; SMN2TSHR
Ethyl Salicylate SCHEMBL1870434 0.75 TSHR (0.77) HPGDTSHRCA12CA1CA2
Ethyl Salicylate SCHEMBL29501114 0.75 TSHR (0.77) HPGDTSHRCA12CA1CA2
Ethyl Salicylate SCHEMBL23803706 0.74 TSHR (0.74) HPGDTSHRCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292768-A Compound effective as cerebral insufficiency improver SUNTORY LIMITED (JP) 1994-03-08 US disclosed
US-5288752-A Brain disorders SUNTORY LIMITED (JP) 1994-02-22 US disclosed
EP-0322248-B1 COMPOUNDS EFFECTIVE AGAINST CEREBRAL INSUFFICIENCY SUNTORY LIMITED (JP) 1993-08-04 EP disclosed
US-5179092-A Cognition activators SUNTORY LIMITED (JP) 1993-01-12 US disclosed
US-5057514-A Compounds effective as cerebral schemia treating agents SUNTORY LIMITED (JP) 1991-10-15 US disclosed
EP-0322248-A2 Compounds effective against cerebral insufficiency SUNTORY LIMITED (JP) 1989-06-28 EP disclosed