SCHEMBL9345558

SCHEMBL9345558

CCOC(=O)CCCC(=O)c1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
TSHR P16473 1/20 0.49
CYP1A2 P05177 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP19A1 P11511 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ABCB1 P08183 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
SIRT5 Q9NXA8 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL29178208 0.97 CYP4F2 (0.51) CYP4F2CYP4A11TSHRCYP1A2SMN1; SMN2
SCHEMBL9348474 0.92 TSHR (0.50) CYP4F2CYP4A11TSHRSMN1; SMN2CYP19A1
SCHEMBL11772453 0.83 NPC1 (0.53) TSHRSMN1; SMN2TDP1CA12CA1
Ethyl Salicylate SCHEMBL29113780 0.83 TSHR (0.57) CYP4F2CYP4A11TSHRCYP3A4TDP1
SCHEMBL28237669 0.83 CYP4F2 (0.52) CYP4F2CYP4A11TSHRCYP1A2SMN1; SMN2
Ethyl Salicylate SCHEMBL8780941 0.82 TSHR (0.56) CYP4F2CYP4A11TSHRCYP3A4TDP1
SCHEMBL9730413 0.82 HNF4A (0.51) CYP4F2CYP4A11CYP1A2SMN1; SMN2CYP3A4
SCHEMBL14925380 0.81 HTT (0.68) TSHRSMN1; SMN2CYP3A4CA12CA1
SCHEMBL9348517 0.81 HDAC8 (0.59) CYP4F2CYP4A11TSHRABCB1ALDH1A1
SCHEMBL5341547 0.81 HTT (0.57) SMN1; SMN2CYP19A1CA12CA1CA2

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