SCHEMBL7772111

SCHEMBL7772111

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

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.66
CAPN1 P07384 2/20 0.59
MMP2 P08253 2/20 0.58
MMP1 P03956 1/20 0.58
MMP3 P08254 1/20 0.58
LTA4H P09960 1/20 0.56
MMP7 P09237 1/20 0.56
MMP9 P14780 1/20 0.56
MMP12 P39900 1/20 0.56
MMP13 P45452 1/20 0.56
REN P00797 1/20 0.55

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
SCHEMBL5492842 1.00 MME (0.66) MMECAPN1MMP2MMP1MMP3
SCHEMBL24534148 0.90 MME (0.61) MME
SCHEMBL24534147 0.90 MME (0.61) MME
SCHEMBL7266645 0.89 CAPN1 (0.62) MMECAPN1
SCHEMBL9831181 0.89 CAPN1 (0.74) MMECAPN1
SCHEMBL29483597 0.89 CAPN1 (0.74) MMECAPN1
SCHEMBL21219352 0.89 CAPN1 (0.74) MMECAPN1
SCHEMBL21219351 0.89 CAPN1 (0.74) MMECAPN1
SCHEMBL21219280 0.89 CAPN1 (0.74) MMECAPN1
SCHEMBL4320484 0.89 CAPN1 (0.74) MMECAPN1

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-0696208-B1 ORAL DRUG DELIVERY COMPOSITIONS EMISPHERE TECH INC (US) 2001-08-22 EP claimed