SCHEMBL11057770

SCHEMBL11057770

Cc1cccc(C)c1NC(C(=O)O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 3/20 0.41
MMP2 P08253 3/20 0.41
MMP3 P08254 3/20 0.41
MMP13 P45452 3/20 0.41
ATM Q13315 2/20 0.41
ADAMTS4 O75173 2/20 0.41
MMP1 P03956 2/20 0.41
MMP7 P09237 2/20 0.41
MMP9 P14780 2/20 0.41
HSP90AA1 P07900 1/20 0.41
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39

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
SCHEMBL11200131 1.00 LMNA (0.42) LMNAGAAHPGDSMN1; SMN2KDM4E
SCHEMBL11195514 0.89 PYGL (0.46) GAAATMHSP90AA1SLC1A3SLC1A2
SCHEMBL11195507 0.89 PYGL (0.46) GAAATMHSP90AA1SLC1A3SLC1A2
SCHEMBL11058481 0.84 ALDH1A1 (0.46) LMNAGAAPOLBATMHSP90AA1
SCHEMBL11202735 0.81 PYGL (0.46) LMNAGAAKDM4EPOLBMMP2
SCHEMBL11056093 0.81 PYGL (0.46) LMNAGAAKDM4EPOLBMMP2
SCHEMBL4411485 0.81 POLB (0.43) LMNAPOLBATMHSP90AA1ALDH1A1
SCHEMBL1900149 0.81 POLB (0.43) LMNAPOLBATMHSP90AA1ALDH1A1
SCHEMBL6264012 0.81 POLB (0.43) LMNAPOLBATMHSP90AA1ALDH1A1
SCHEMBL4411484 0.81 POLB (0.43) LMNAPOLBATMHSP90AA1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4464307-A Substituted acid chloride process ZOECON CORPORATION (US) 1984-08-07 US disclosed
US-4411912-A Insecticidal isovaleric acid esters ZOECON CORPORATION (US) 1983-10-25 US disclosed
US-4243819-A Substituted amino acids ZOECON CORPORATION (US) 1981-01-06 US disclosed