SCHEMBL19981155

SCHEMBL19981155

C[C@H](O)[C@H](NC(=O)N[C@@H](CCC(=O)O)c1nc(N2CC[C@@H](CO)C2)no1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 3/20 0.44
CD274 Q9NZQ7 3/20 0.44
ACACB O00763 2/20 0.35
P2RY12 Q9H244 3/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
SRC P12931 1/20 0.32
PDCD1 Q15116 1/20 0.30
PTGER4 P35408 1/20 0.30
KHK P50053 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
SCHEMBL19981250 0.89 VSIR (0.44) VSIRCD274P2RY12PDCD1LG2SRC
SCHEMBL19981232 0.89 VSIR (0.44) VSIRCD274ACACBPDCD1LG2SRC
SCHEMBL19866994 0.86 VSIR (0.47) VSIRCD274PDCD1LG2SRC
SCHEMBL18077930 0.86 VSIR (0.47) VSIRCD274PDCD1LG2SRC
SCHEMBL28776794 0.78 CD274 (0.47) VSIRCD274PDCD1LG2SRCPDCD1
SCHEMBL28776802 0.78 CD274 (0.47) VSIRCD274PDCD1LG2SRCPDCD1
SCHEMBL28776810 0.78 CD274 (0.47) VSIRCD274PDCD1LG2SRCPDCD1
SCHEMBL19866992 0.77 CD274 (0.53) VSIRCD274PDCD1LG2PDCD1
SCHEMBL18077951 0.77 CD274 (0.53) VSIRCD274PDCD1LG2PDCD1
SCHEMBL19867089 0.75 CD274 (0.57) VSIRCD274PDCD1LG2PDCD1

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