SCHEMBL9193585

SCHEMBL9193585

CC(C)C[C@H](NC(c1ccccc1)C(N)C(O)CC(=O)O)[C@@H](O)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GABBR2 O75899 1/20 0.38
▸ GABBR1 Q9UBS5 1/20 0.38
▸ MMP1 P03956 2/20 0.37
▸ MMP2 P08253 2/20 0.37
▸ MMP3 P08254 2/20 0.37
▸ MMP9 P14780 2/20 0.37
▸ MMP14 P50281 2/20 0.37
▸ LARS1 Q9P2J5 1/20 0.36
▸ ANPEP P15144 3/20 0.36
▸ RNPEP Q9H4A4 1/20 0.36
▸ DNPEP Q9ULA0 1/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ REN P00797 2/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ LAP3 P28838 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ ADRA2A P08913 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
SCHEMBL7320534 0.75 GABBR2 (0.47) LMNAALDH1A1GABBR2GABBR1CYP2C19
SCHEMBL16569135 0.75 LMNA (0.45) LMNAALDH1A1RENHIF1A
SCHEMBL939400 0.75 LMNA (0.45) LMNAALDH1A1RENHIF1A
SCHEMBL27444334 0.73 GABBR2 (0.45) LMNAALDH1A1GABBR2GABBR1CYP2C19
SCHEMBL31003034 0.72 PSMB5 (0.48) ALDH1A1ANPEPRENMAPTBACE1
SCHEMBL29885722 0.71 CACNA2D1 (0.42) ALDH1A1RNPEPCYP2C19
SCHEMBL31633387 0.71 METAP2 (0.41) MMP1MMP2MMP3MMP9ANPEP
SCHEMBL609044 0.70 KDM4E (0.36) ALDH1A1ANPEPRENLAP3BACE1
SCHEMBL11909491 0.70 CACNA2D1 (0.46) LMNA
3-Methylbutanoic Acid SCHEMBL27920816 0.70 GABBR2 (0.52) LMNAALDH1A1GABBR2GABBR1CYP2C19

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-0409962-B1 AGENT FOR INHIBITING HIV-PROTEASES SCHRAMM WOLFGANG (DE) 1995-12-06 — — EP claimed
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