SCHEMBL9834142

SCHEMBL9834142

COC(=O)CC(O)C(N)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.55
LTA4H P09960 1/20 0.51
CSNK1E P49674 1/20 0.50
LAP3 P28838 3/20 0.49
ANPEP P15144 4/20 0.48
RNPEP Q9H4A4 1/20 0.48
DNPEP Q9ULA0 1/20 0.48
SLC15A1 P46059 1/20 0.48
SLC7A5 Q01650 2/20 0.47
REN P00797 4/20 0.46
F2 P00734 1/20 0.46
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.44

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
SCHEMBL9484332 1.00 ABCB1 (0.55) ABCB1LTA4HCSNK1ELAP3ANPEP
SCHEMBL6343323 0.85 EPHX1 (0.53) ABCB1LAP3ANPEPSLC7A5ALPI
SCHEMBL2632623 0.85 EPHX1 (0.53) ABCB1LAP3ANPEPSLC7A5ALPI
SCHEMBL27846893 0.85 EPHX1 (0.53) ABCB1LAP3ANPEPSLC7A5ALPI
Hydrochloric Acid SCHEMBL3707653 0.84 EPHX1 (0.52) ABCB1LAP3ANPEPSLC7A5ALPI
Hydrochloric Acid SCHEMBL6343321 0.84 EPHX1 (0.52) ABCB1LAP3ANPEPSLC7A5ALPI
SCHEMBL3495957 0.82 CPA1 (0.55) LTA4HCSNK1ELAP3ANPEPRNPEP
SCHEMBL21689939 0.82 CPA1 (0.55) LTA4HCSNK1ELAP3ANPEPRNPEP
SCHEMBL43394 0.82 CPA1 (0.55) LTA4HCSNK1ELAP3ANPEPRNPEP
SCHEMBL7633821 0.80 ABCB1 (0.57) ABCB1RENMMP1

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
CN-1238779-A Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis ELAN PHARM INC (US) 1999-12-15 CN disclosed
US-5026642-A Process for the enzymatic production of ketones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-06-25 US disclosed