SCHEMBL9348474

SCHEMBL9348474

CCOC(=O)CCC(=O)c1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
CYP19A1 P11511 1/20 0.49
ABCB1 P08183 1/20 0.48
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 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
SCHEMBL9345558 0.92 CYP4F2 (0.50) TSHRSMN1; SMN2CYP19A1ABCB1CYP4F2
SCHEMBL29178208 0.89 CYP4F2 (0.51) TSHRSMN1; SMN2CYP19A1ABCB1CYP4F2
SCHEMBL3949459 0.85 CTNNB1 (0.54) TSHRSMN1; SMN2ABCB1CYP4F2CYP4A11
SCHEMBL11772453 0.85 NPC1 (0.53) TSHRSMN1; SMN2CA12CA1CA2
SCHEMBL3941815 0.84 TSHR (0.55) TSHRSMN1; SMN2CYP19A1TDP1LMNA
SCHEMBL13962647 0.83 CYP4F2 (0.55) TSHRSMN1; SMN2ABCB1CYP4F2CYP4A11
SCHEMBL9737218 0.83 SMN1; SMN2 (0.53) TSHRSMN1; SMN2ABCB1CYP4F2CYP4A11
SCHEMBL9374658 0.83 TSHR (0.70) TSHRSMN1; SMN2ABCB1CYP4F2CYP4A11
SCHEMBL11581372 0.83 LMNA (0.56) TSHRSMN1; SMN2CYP19A1CA12CA1
SCHEMBL15778916 0.82 TSHR (0.49) TSHRSMN1; SMN2ABCB1CYP4F2CYP4A11

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