SCHEMBL7279909

SCHEMBL7279909

CC(C)(C)OC(=O)NC(=O)CCC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
ATM Q13315 1/20 0.48
EPHX1 P07099 1/20 0.46
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
GAA P10253 3/20 0.43
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 2/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL15778320 0.81 KMT2A (0.36) HPGDKMT2AMEN1MAPTATM
SCHEMBL9822530 0.78 EPHX1 (0.50) HPGDKMT2AMEN1MAPTATM
SCHEMBL15355129 0.78 MEN1 (0.50) HPGDKMT2AMEN1MAPTATM
SCHEMBL6799750 0.77 EPHX1 (0.63) KMT2AMEN1EPHX1CTSSCTSK
SCHEMBL13561009 0.76 CTSK (0.41) KMT2AEPHX1CTSSCTSKGAA
SCHEMBL8349429 0.75 MEN1 (0.48) HPGDKMT2AMEN1MAPTATM
SCHEMBL60318 0.75 EPHX1 (0.56) KMT2AEPHX1CTSSCTSKGAA
SCHEMBL4073139 0.74 EPHX1 (0.60) KMT2AMEN1EPHX1CTSSCTSK
SCHEMBL18177843 0.74 HPGD (0.59) HPGDKMT2AMEN1MAPTATM
SCHEMBL16772732 0.74 GAA (0.50) HPGDKMT2AMEN1MAPTEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098924-A Hypotensive agents and angiotensin II inhibitors E. R. SQUIBB & SONS, INC. (US) 1992-03-24 US disclosed
EP-0452587-A1 Dihydroxy sulfonamide and sulfinamide renin inhibitors E.R. SQUIBB & SONS, INC. (US) 1991-10-23 EP disclosed