SCHEMBL7857087

SCHEMBL7857087

NCCC[C@@H](N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCCc1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
MMP8 P22894 1/20 0.59
CHRND Q07001 10/20 0.54
CHRNA1 P02708 6/20 0.54
CHRNG P07510 6/20 0.54
CHRNB1 P11230 6/20 0.54
OPRD1 P41143 1/20 0.53
GRIA1 P42261 5/20 0.52
CTSL P07711 1/20 0.47
CALCRL Q16602 1/20 0.46

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
SCHEMBL7859128 0.94 CALCRL (0.51) MMP2MMP9MMP8CHRNDCHRNA1
SCHEMBL8163585 0.88 MMP2 (0.49) MMP2MMP9MMP8CHRNDCHRNA1
SCHEMBL7850349 0.86 OPRD1 (0.50) MMP2MMP9MMP8CHRNDCHRNA1
SCHEMBL7857865 0.84 FCER2 (0.60) MMP2MMP9MMP8CHRNDCHRNA1
SCHEMBL7855910 0.83 FCER2 (0.47) MMP2MMP9MMP8CHRNDCHRNA1
Hydrochloric Acid SCHEMBL8617569 0.81 NPY4R (0.59) MMP2MMP9MMP8CHRNDCHRNA1
SCHEMBL7857956 0.81 HDAC8 (0.57) MMP2MMP9MMP8OPRD1
SCHEMBL7857952 0.81 HDAC8 (0.57) MMP2MMP9MMP8OPRD1
Trifluoroacetic Acid SCHEMBL7857126 0.81 OPRD1 (0.47) MMP2MMP9MMP8CHRNDCHRNA1
SCHEMBL8365152 0.80 HDAC8 (0.53) MMP2

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-6245746-B1 ADMINISTERING AMIDE MICROBIOCIDE ANTIBIOTIC MICROCIDE PHARMACEUTICALS, INC. 2001-06-12 US disclosed
US-6114310-A THERAPY FOR MICROBIAL INFECTIONS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-09-05 US disclosed
WO-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 WO disclosed