SCHEMBL9348453

SCHEMBL9348453

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
GAA P10253 3/20 0.49
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 1/20 0.46
NPC1 O15118 2/20 0.45
LMNA P02545 3/20 0.44

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
SCHEMBL3941262 0.84 TSHR (0.55) TSHRSMN1; SMN2CA2TDP1ALDH1A1
Catechol SCHEMBL27707731 0.84 CA12 (0.55) TSHRSMN1; SMN2GAAHPGDRECQL
SCHEMBL12947670 0.82 TSHR (0.49) TSHRHPGDMEN1KMT2AALDH1A1
SCHEMBL2125383 0.82 KDM4E (0.50) TSHRSMN1; SMN2GAAHPGDMEN1
SCHEMBL9345554 0.82 GAA (0.61) TSHRSMN1; SMN2GAAHPGDRECQL
SCHEMBL9344621 0.81 MAPT (0.49) TSHRSMN1; SMN2GAAHPGDMEN1
SCHEMBL18073921 0.81 HCRTR1 (0.53) TSHRGAAHPGDMEN1KMT2A
SCHEMBL5963646 0.80 TSHR (0.42) TSHRSMN1; SMN2GAAHPGDCA12
SCHEMBL9845817 0.78 TSHR (0.51) TSHRSMN1; SMN2GAAHPGDRECQL
SCHEMBL5866532 0.77 KMT2A (0.57) TSHRSMN1; SMN2CA12CA1CA2

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