SCHEMBL1387769

SCHEMBL1387769

CCCCNC(=O)c1ccccc1Sc1ccccc1C(=O)NCCCC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.75
HTT P42858 1/20 0.75
HPGD P15428 6/20 0.73
NAAA Q02083 2/20 0.59
KMT2A Q03164 1/20 0.58
HSD17B10 Q99714 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 2/20 0.55
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
HCRTR1 O43613 1/20 0.51
MAPT P10636 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50

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
SCHEMBL11750445 0.91 TSHR (0.67) TSHRHTTHPGDNAAAKMT2A
SCHEMBL11341066 0.90 TSHR (0.75) TSHRHTTHPGDNAAAKMT2A
SCHEMBL30593956 0.90 TSHR (0.75) TSHRHTTHPGDNAAAKMT2A
SCHEMBL2735593 0.89 HPGD (0.91) TSHRHTTHPGDNAAAKMT2A
SCHEMBL25442701 0.89 HPGD (0.71) TSHRHTTHPGDNAAAKMT2A
SCHEMBL11172438 0.88 TSHR (0.71) TSHRHTTHPGDNAAAKMT2A
SCHEMBL19210845 0.86 TSHR (1.00) TSHRHTTHPGDNAAAL3MBTL1
SCHEMBL11751537 0.86 HPGD (0.71) TSHRHTTHPGDNAAAKMT2A
SCHEMBL2735595 0.84 HPGD (1.00) TSHRHTTHPGDNAAAKMT2A
SCHEMBL10789563 0.84 HPGD (0.78) TSHRHTTHPGDNAAAKMT2A

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-6043284-A ACYL COENZYME A: CHOLESTEROL ACYLTRANSFERASE (ACAT) INHIBITORS GLAXO WELLCOME INC. (US) 2000-03-28 US claimed
JP-H08512046-A 1996-12-17 JP claimed
EP-0706508-A1 ANTI-ATHEROSCLEROTIC DIARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1996-04-17 EP claimed
WO-1995001326-A1 ANTI-ATHEROSCLEROTIC DIARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1995-01-12 WO claimed
US-6043284-A ACYL COENZYME A: CHOLESTEROL ACYLTRANSFERASE (ACAT) INHIBITORS GLAXO WELLCOME INC. (US) 2000-03-28 US disclosed
US-5776951-A ANTICHOLESTEROL AGENT GLAXO WELLCOME INC. (US) 1998-07-07 US disclosed