SCHEMBL14745763

SCHEMBL14745763

CCc1c(-c2ccc3c(ccn3C)c2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(ccn2CCO)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
PPARG P37231 4/20 0.32
MPL P40238 1/20 0.30
BCL2 P10415 1/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL14745245 0.90 MTNR1A (0.35) PPARGMPL
SCHEMBL17597216 0.89 CYP19A1 (0.34) PPARG
SCHEMBL14744763 0.87 BCL2 (0.36) PPARGBCL2MCL1
SCHEMBL14745764 0.87 SERPINE1 (0.31) PRKAG1PRKAA2PRKAA1PRKAB1PPARG
SCHEMBL17597693 0.86 PTGER3 (0.32) MPL
SCHEMBL14745471 0.86 PTGER3 (0.37) PRKAG1PRKAA2PRKAA1PRKAB1
SCHEMBL17597212 0.84 GRK5 (0.40) PRKAG1PRKAA2PRKAA1PRKAB1MCL1
SCHEMBL14744943 0.83 PRKAG1 (0.40) PRKAG1PRKAA2PRKAA1PRKAB1
SCHEMBL14745804 0.81 TUBB4A (0.36) PPARG
SCHEMBL17597597 0.80 USP7 (0.42)

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-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP claimed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO claimed