SCHEMBL19981233

SCHEMBL19981233

O=C(O)CC[C@H](NC(=O)c1cccc(C(=O)O)c1)c1nc(-c2cc(F)ccc2F)no1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
CTSA P10619 6/20 0.40
MAOA P21397 1/20 0.39
BLVRB P30043 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
S1PR3 Q99500 3/20 0.38
S1PR1 P21453 2/20 0.38
BMP1 P13497 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CCKBR P32239 1/20 0.36
ADAMTS4 O75173 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36

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
SCHEMBL24218494 0.92 LMNA (0.45) LMNATSHRCTSAMAOABLVRB
SCHEMBL19981248 0.91 CTSA (0.47) LMNATSHRCTSAMAOABLVRB
SCHEMBL19981240 0.87 LMNA (0.40) LMNATSHRCTSAMAOABLVRB
SCHEMBL19981269 0.81 CTSA (0.45) LMNATSHRCTSAROCK2ROCK1
SCHEMBL18077932 0.78 VSIR (0.43) LMNATSHRCTSAHDAC6S1PR1
SCHEMBL19867036 0.78 VSIR (0.43) LMNATSHRCTSAHDAC6S1PR1
SCHEMBL19981137 0.77 S1PR1 (0.38) LMNATSHRCTSAHDAC6S1PR1
SCHEMBL19867021 0.69 VSIR (0.48) CTSAS1PR1
SCHEMBL18077943 0.69 VSIR (0.48) CTSAS1PR1
SCHEMBL19981130 0.68 CTSA (0.41) LMNATSHRCTSAS1PR1

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-2018051254-A1 CYCLIC SUBSTITUTED-1,2,4-OXADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-22 WO disclosed