SCHEMBL7361072

SCHEMBL7361072

[CH2]CCC(N)CCCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 6/20 0.61
ALDH1A1 P00352 1/20 0.55
ANPEP P15144 3/20 0.47
TSHR P16473 3/20 0.42
BLM P54132 2/20 0.42
KMT2A Q03164 2/20 0.42
NFKB1 P19838 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 3/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
GABRP O00591 3/20 0.41
GABRD O14764 3/20 0.41
GABRA1 P14867 3/20 0.41
GABRB1 P18505 3/20 0.41
GABRG2 P18507 3/20 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
SCHEMBL7823258 0.89 ENPEP (0.74) ENPEPALDH1A1ANPEPTSHRBLM
SCHEMBL298510 0.84 ENPEP (0.68) ENPEPALDH1A1ANPEPTSHRBLM
SCHEMBL11545521 0.84 ALDH1A1 (0.73) ENPEPALDH1A1ANPEPTSHRBLM
SCHEMBL287856 0.84 ENPEP (0.68) ENPEPALDH1A1ANPEPTSHRBLM
SCHEMBL336856 0.81 ALDH1A1 (0.76) ENPEPALDH1A1ANPEPTSHRBLM
SCHEMBL27762577 0.79 ALDH1A1 (0.80) ENPEPALDH1A1ANPEPTSHRKMT2A
SCHEMBL27705304 0.79 ALDH1A1 (0.80) ENPEPALDH1A1ANPEPTSHRKMT2A
SCHEMBL29255900 0.79 ALDH1A1 (0.80) ENPEPALDH1A1ANPEPTSHRKMT2A
SCHEMBL1878508 0.78 ALDH1A1 (0.71) ENPEPALDH1A1TSHRKMT2AMEN1
SCHEMBL466531 0.78 ALDH1A1 (0.85) ENPEPALDH1A1TSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722321-A4 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS UNIV FLORIDA STATE (US) 1998-04-15 EP disclosed
EP-0722321-A1 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1996-07-24 EP disclosed
WO-1995009620-A1 SULFOXIMINE AND SULFODIIMINE MATRIX METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1995-04-13 WO disclosed