SCHEMBL875088

SCHEMBL875088

Cc1ccc2nnn(CCC(Sc3ccc(-c4ccc(F)cc4)cc3C)C(=O)O)c(=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 13/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 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
SCHEMBL12472560 0.93 GPR139 (0.45) GPR139SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL874951 0.90 GPR139 (0.44) GPR139SMN1; SMN2MMP1MMP2MMP3
SCHEMBL878139 0.89 GPR139 (0.45) GPR139SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL877877 0.86 GPR139 (0.41) GPR139SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL875089 0.85 GPR139 (0.43) GPR139SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL875322 0.85 GPR139 (0.49) GPR139SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL15733101 0.84 GPR139 (0.41) GPR139SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL15733404 0.83 GPR139 (0.42) GPR139SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL877148 0.81 GPR139 (0.42) GPR139SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL878249 0.81 GPR139 (0.48) GPR139SMN1; SMN2NPC1RAB9AL3MBTL1

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