SCHEMBL7278921

SCHEMBL7278921

CCCCOC(=O)NC(=O)[C@@H](N)CC(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC15A1 P46059 1/20 0.45
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ ACHE P22303 7/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ SLC7A5 Q01650 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CTSK P43235 1/20 0.38

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
SCHEMBL2448759 0.81 EPHX1 (0.45) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL7883350 0.80 SLC7A5 (0.44) SLC15A1SMN1; SMN2ALDH1A1SLC7A5MAPT
SCHEMBL7609352 0.80 EPHX1 (0.48) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL8435788 0.80 ALDH1A1 (0.47) SLC15A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL8964483 0.80 ALDH1A1 (0.47) SLC15A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2505997 0.80 ALDH1A1 (0.47) SLC15A1RAB9ANPC1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL7394658 0.78 ALDH1A1 (0.45) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
Hydrochloric Acid SCHEMBL2505994 0.78 ALDH1A1 (0.45) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL10586047 0.78 SLC15A1 (0.39) SLC15A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL590532 0.75 EPHX1 (0.59) RAB9AHPGDEPHX1ACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934291-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 — — EP disclosed
EP-0934291-A4 — SMITHKLINE BEECHAM CORP (US) 1999-08-11 — — EP disclosed
WO-1997016433-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-09 — — WO disclosed
EP-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 — — EP disclosed
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