SCHEMBL7857107

SCHEMBL7857107

CC(C)(C)c1ccc(NC(=O)[C@H](Cc2cnc3ccccc3c2)NC(=O)[C@H](N)CCCN)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 2/20 0.46
▸ MMP1 P03956 1/20 0.46
▸ FCER2 P06734 1/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.45
▸ ADCY6 O43306 1/20 0.43
▸ ADCY3 O60266 1/20 0.43
▸ ADCY9 O60503 1/20 0.43
▸ ADCY5 O95622 1/20 0.43
▸ ADCY8 P40145 1/20 0.43
▸ GCGR P47871 1/20 0.43
▸ ADCY7 P51828 1/20 0.43
▸ ADCY2 Q08462 1/20 0.43
▸ ADCY1 Q08828 1/20 0.43
▸ ADCY4 Q8NFM4 1/20 0.43
▸ HDAC1 Q13547 4/20 0.43
▸ HDAC4 P56524 3/20 0.43
▸ HDAC3 O15379 2/20 0.42

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
SCHEMBL7857944 0.84 MMP9 (0.45) MMP9MMP1FCER2MMP3MMP2
SCHEMBL1245446 0.83 BDKRB2 (0.46) TRPV1ADCY6ADCY3ADCY9ADCY5
SCHEMBL1244207 0.83 SCN9A (0.51) MMP2HDAC1HDAC4HDAC3HDAC7
SCHEMBL7860797 0.83 MMP9 (0.46) MMP9MMP1FCER2MMP3MMP2
SCHEMBL1244196 0.81 BDKRB2 (0.48) MMP9MMP2MMP8TRPV1ADCY6
SCHEMBL13365364 0.81 HDAC1 (0.46) TRPV1ADCY6ADCY3ADCY9ADCY5
SCHEMBL1244301 0.80 BDKRB2 (0.47) MMP9MMP2MMP8TRPV1HDAC1
SCHEMBL7857825 0.80 CALCRL (0.46) MMP9MMP2MMP8CALCRL
SCHEMBL12890816 0.80 BDKRB2 (0.47) MMP9MMP2MMP8TRPV1HDAC1
SCHEMBL7860837 0.80 MMP8 (0.44) MMP9MMP1FCER2MMP3MMP2

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
US-6245746-B1 ADMINISTERING AMIDE MICROBIOCIDE ANTIBIOTIC MICROCIDE PHARMACEUTICALS, INC. 2001-06-12 — — US disclosed
WO-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 — — WO disclosed
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