SCHEMBL7376386

SCHEMBL7376386

CCC(O)CC(C)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
EPHX1 P07099 2/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
ENPEP Q07075 2/20 0.30
GABRR1 P24046 2/20 0.30
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL18391445 1.00 CA1 (0.35) CA1CA2TSHRALDH1A1LMNA
SCHEMBL22170188 0.82 CA1 (0.38) CA1CA2TSHREPHX1SLC1A3
SCHEMBL22593906 0.81 LMNA (0.36) TSHRALDH1A1LMNAENPEPGABRR1
SCHEMBL18554189 0.81 LMNA (0.36) TSHRALDH1A1LMNAENPEPGABRR1
SCHEMBL28006990 0.80 TSHR (0.38) CA1TSHRALDH1A1LMNAGAA
SCHEMBL9611232 0.79 GABRR1 (0.38) CA1CA2LMNAEPHX1SLC1A3
SCHEMBL3325557 0.78 NAALAD2 (0.45) TSHRALDH1A1LMNAGAAPKM
SCHEMBL13969782 0.78 NAALAD2 (0.45) TSHRALDH1A1LMNAGAAPKM
SCHEMBL17335573 0.78 CA1 (0.37) CA1CA2TSHREPHX1SLC1A3
SCHEMBL12463915 0.78 NAALAD2 (0.45) TSHRALDH1A1LMNAGAAPKM

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-0383635-A2 Peptides having renin inhibitory activity their preparation and use Sankyo Company Limited (JP) 1990-08-22 EP claimed