SCHEMBL875089

SCHEMBL875089

COc1ccc2c(=O)n(CCC(Sc3ccc(-c4ccc(F)cc4)cc3C)C(=O)O)nnc2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 10/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MMP1 P03956 3/20 0.39
MMP2 P08253 3/20 0.39
MMP3 P08254 3/20 0.39
MMP9 P14780 3/20 0.39
MMP13 P45452 3/20 0.39
F2RL1 P55085 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.36
PRNP P04156 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 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
SCHEMBL874951 0.94 GPR139 (0.44) GPR139ALDH1A1SMN1; SMN2MMP1MMP2
SCHEMBL15733169 0.87 GPR139 (0.43) GPR139ALDH1A1SMN1; SMN2MMP1MMP2
SCHEMBL877286 0.85 GPR139 (0.43) GPR139ALDH1A1SMN1; SMN2MMP1MMP2
SCHEMBL875088 0.85 GPR139 (0.45) GPR139SMN1; SMN2MMP1MMP2MMP3
SCHEMBL875077 0.84 GPR139 (0.51) GPR139ALDH1A1SMN1; SMN2MMP1MMP2
SCHEMBL877105 0.82 GPR139 (0.43) GPR139ALDH1A1SMN1; SMN2MMP1MMP2
SCHEMBL877415 0.81 GPR139 (0.45) GPR139ALDH1A1SMN1; SMN2MMP1MMP2
SCHEMBL874630 0.81 MMP2 (0.47) GPR139ALDH1A1SMN1; SMN2MMP1MMP2
SCHEMBL875322 0.81 GPR139 (0.49) GPR139SMN1; SMN2MMP1MMP2MMP3
SCHEMBL15733191 0.81 GPR139 (0.43) GPR139ALDH1A1SMN1; SMN2MMP1MMP2

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-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed