SCHEMBL8028148

SCHEMBL8028148

[CH2]C(C)CC[C@H](O)C(=O)N(O)C(=O)N[C@H](C(=O)Nc1ccccn1)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.52
MMP3 P08254 3/20 0.52
MMP9 P14780 3/20 0.52
MMP2 P08253 1/20 0.47
MMP7 P09237 1/20 0.47
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.39
FFAR2 O15552 1/20 0.39
LMNA P02545 2/20 0.37
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CTSK P43235 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
SCHEMBL7373809 0.92 MMP1 (0.56) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7406988 0.79 MMP1 (0.43) MMP1MMP3MMP9MMP2MMP7
SCHEMBL8396770 0.78 MMP1 (0.54) MMP1MMP3MMP9MMP2MMP7
SCHEMBL8026129 0.78 MMP3 (0.40) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7410121 0.77 MMP2 (0.47) MMP1MMP3MMP2POLBLMNA
SCHEMBL8397891 0.75 MMP1 (0.47) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7404962 0.75 MMP1 (0.47) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7370348 0.75 MMP2 (0.46) MMP1MMP3MMP9MMP2FFAR2
SCHEMBL7366585 0.74 MMP1 (0.59) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7411892 0.74 MMP2 (0.44) MMP1MMP3MMP2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861226-B1 SYNTHESIS OF CARBOXYLIC ACID DERIVATIVES BRITISH BIOTECH PHARM (GB) 2000-02-23 EP disclosed
US-5986132-A Synthesis of carboxylic acid derivatives BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 1999-11-16 US disclosed