SCHEMBL8797367

SCHEMBL8797367

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
MME P08473 2/20 0.41
MAPK1 P28482 2/20 0.39
ATM Q13315 1/20 0.39
CA2 P00918 1/20 0.39
CPA1 P15085 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DGKA P23743 1/20 0.38
SLC1A1 P43005 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
SCHEMBL1038751 0.88 NAAA (0.43) NAAAALDH1A1MAPK1ATMHCAR2
SCHEMBL7066411 0.84 SLC1A1 (0.58) SLC1A3SLC1A2SLC1A1
SCHEMBL28342779 0.83 NAAA (0.50) NAAAALDH1A1MAPK1HCAR2MAPT
SCHEMBL9067257 0.83 MME (0.51) ALDH1A1MME
SCHEMBL8798162 0.83 CHRM1 (0.52) NAAAALDH1A1SLC1A3SLC1A2MAPK1
SCHEMBL1061357 0.83 CA2 (0.55) NAAAALDH1A1SLC1A3SLC1A2MAPK1
SCHEMBL8047058 0.82 SLC1A3 (0.46) ALDH1A1SLC1A3SLC1A2MMECPA1
SCHEMBL5558434 0.82 SLC1A3 (0.46) ALDH1A1SLC1A3SLC1A2MMECPA1
SCHEMBL2637671 0.82 SLC1A3 (0.46) ALDH1A1SLC1A3SLC1A2MMECPA1
SCHEMBL8669263 0.81 NAAA (0.60) NAAAMAPK1HCAR2MAPTNPSR1

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
EP-0807114-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-11-19 EP disclosed
WO-1996023791-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-08-08 WO disclosed