SCHEMBL8771901

SCHEMBL8771901

CC(C)[C@@H](C(N)=O)N(C(=O)Oc1ccccc1)C(C)COc1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.45
MMP3 P08254 2/20 0.41
MAOB P27338 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
MAPT P10636 1/20 0.36
ADAMTS4 O75173 1/20 0.36
MMP13 P45452 1/20 0.36
ALOX5 P09917 1/20 0.35
LMNA P02545 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL8771767 0.91 MMP2 (0.44) MMP2MMP3MAOBALDH1A1HPGD
SCHEMBL8771861 0.90 MMP2 (0.43) MMP2MMP3MAOBCYP11B1CYP11B2
SCHEMBL8771846 0.89 MMP2 (0.41) MMP2MMP3MAOBCYP11B1CYP11B2
SCHEMBL8771794 0.87 MMP2 (0.43) MMP2MMP3MAOBALDH1A1HPGD
SCHEMBL8771940 0.85 MMP2 (0.43) MMP2MMP3MAOBCYP11B1CYP11B2
SCHEMBL8771785 0.85 MMP2 (0.43) MMP2MMP3MAOBCYP11B1CYP11B2
SCHEMBL8771829 0.84 PSMB5 (0.40) MAOBALDH1A1ADAMTS4MMP13BACE1
SCHEMBL8771750 0.84 EPHX1 (0.44) MAOBALDH1A1MTNR1AMTNR1BALOX5
SCHEMBL8771958 0.84 MMP2 (0.42) MMP2MMP3MAOBCYP11B1CYP11B2
SCHEMBL8771919 0.83 MMP2 (0.45) MMP2MMP3MAOBALDH1A1HPGD

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-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed