SCHEMBL13798

SCHEMBL13798

C[C@@H]1CCN(C(=O)Cc2c[nH]c(NC(=O)Nc3ccccc3OC(F)(F)F)nc2=O)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2J2 P51589 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CXCR2 P25025 4/20 0.37
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
POLB P06746 1/20 0.36
P2RY1 P47900 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
LIPE Q05469 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
SCHEMBL14850225 0.91 EPHX2 (0.37) EPHX2CYP2C9CYP2J2CXCR2OPRD1
SCHEMBL14269 0.86 CXCR2 (0.41) EPHX2CXCR2POLBP2RY1
SCHEMBL17485862 0.85 EGFR (0.36) EPHX2CYP2C9CYP2J2CXCR2OPRD1
SCHEMBL13684 0.85 EGFR (0.36) EPHX2CYP2C9CYP2J2CXCR2OPRD1
SCHEMBL14268 0.81 SIGMAR1 (0.37) EPHX2POLB
SCHEMBL17354488 0.80 POLB (0.39) MEN1KMT2APOLB
SCHEMBL13604 0.78 DPP4 (0.38) EPHX2CYP2C9CYP2J2CXCR2P2RY1
SCHEMBL13857 0.78 ALDH1A1 (0.38) EPHX2KMT2A
SCHEMBL17354223 0.77 EPHX2 (0.43) EPHX2MEN1KMT2A
SCHEMBL13689 0.76 CXCR2 (0.41) EPHX2CXCR2POLBP2RY1

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
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed