SCHEMBL7278909

SCHEMBL7278909

CCCCOC(=O)NC(CC(C)C)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX1 P07099 1/20 0.42
ACHE P22303 6/20 0.41
PLA2G2A P14555 2/20 0.40
PLA2G5 P39877 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
FOLH1 Q04609 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7278916 1.00 RAB9A (0.42) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL7379132 0.88 RAB9A (0.40) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL8141861 0.87 EPHX1 (0.44) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL7812490 0.85 SIRT2 (0.44) RAB9ANPC1SMN1; SMN2EPHX1ACHE
SCHEMBL2455888 0.85 PLA2G2A (0.55) PLA2G2APLA2G5ALDH1A1FOLH1MAPT
SCHEMBL10703068 0.85 TAS1R3 (0.44) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL6824840 0.85 PLA2G2A (0.55) PLA2G2APLA2G5ALDH1A1FOLH1MAPT
SCHEMBL1068731 0.85 PLA2G2A (0.55) PLA2G2APLA2G5ALDH1A1FOLH1MAPT
SCHEMBL7769892 0.85 PPID (0.42) ALDH1A1TAS1R3TAS1R1CA12CA1
SCHEMBL7819315 0.84 NPC1 (0.42) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed