SCHEMBL8527616

SCHEMBL8527616

CC(CCC(=O)O)NC(=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.69
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
HTT P42858 1/20 0.64
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
ALDH1A1 P00352 3/20 0.59
HSP90AA1 P07900 1/20 0.56
LMNA P02545 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ADAMTS4 O75173 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.48
ACACB O00763 1/20 0.48

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
SCHEMBL12356355 0.91 RAB9A (0.76) HPGDKMT2AMEN1SMN1; SMN2HTT
SCHEMBL31360462 0.89 HPGD (0.56) HPGDKMT2AMEN1SMN1; SMN2HTT
SCHEMBL13753786 0.87 HPGD (0.65) HPGDKMT2AMEN1SMN1; SMN2HTT
SCHEMBL1003282 0.84 RAB9A (0.82) HPGDKMT2AMEN1SMN1; SMN2HTT
SCHEMBL28243626 0.84 HPGD (0.71) HPGDKMT2AMEN1SMN1; SMN2HTT
SCHEMBL28243627 0.84 HPGD (0.71) HPGDKMT2AMEN1SMN1; SMN2HTT
SCHEMBL31233408 0.84 KMT2A (0.51) HPGDKMT2AMEN1SMN1; SMN2HTT
SCHEMBL29352066 0.84 RAB9A (0.55) HPGDKMT2AMEN1SMN1; SMN2HTT
SCHEMBL7414527 0.83 HPGD (0.60) HPGDKMT2AMEN1SMN1; SMN2HTT
SCHEMBL21141304 0.83 HPGD (0.69) HPGDKMT2AMEN1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5744607-A TREATING GASTROINTESTINAL, UROGENITAL DISORDERS ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1998-04-28 US disclosed
EP-0636125-B1 BASIC DERIVATIVES OF GLUTAMIC ACID AND ASPARTIC ACID AS GASTRIN OR CHOLECYSTOKININ ANTAGONISTS ROTTA RESEARCH LAB (IT) 1998-03-11 EP disclosed
US-5587479-A ANTITUMOR AGENTS, GASTROINTESTINAL DISORDERS ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1996-12-24 US disclosed
EP-0636125-A1 BASIC DERIVATIVES OF GLUTAMIC ACID AND ASPARTIC ACID AS GASTRIN OR CHOLECYSTOKININ ANTAGONISTS ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1995-02-01 EP disclosed
WO-1993021172-A1 BASIC DERIVATIVES OF GLUTAMIC ACID AND ASPARTIC ACID AS GASTRIN OR CHOLECYSTOKININ ANTAGONISTS ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1993-10-28 WO disclosed