SCHEMBL19984825

SCHEMBL19984825

COc1ccccc1-c1nnc([C@H](CCC(=O)O)NC(=O)c2cccc(C(=O)N[C@@H](CCC(=O)O)c3nnc(-c4ccccc4OC)o3)c2)o1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 4/20 0.57
ADAMTS5 Q9UNA0 4/20 0.57
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
KMT2A Q03164 1/20 0.44
CTSA P10619 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PPARD Q03181 1/20 0.42

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
SCHEMBL19984823 0.97 ADAMTS4 (0.55) ADAMTS4ADAMTS5CTSSCTSKKMT2A
SCHEMBL19984967 0.96 ADAMTS4 (0.54) ADAMTS4ADAMTS5CTSSCTSKKMT2A
SCHEMBL19984985 0.92 ADAMTS4 (0.55) ADAMTS4ADAMTS5CTSSCTSKHPGD
SCHEMBL19984846 0.82 PPARD (0.49) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL18078747 0.80 ADAMTS4 (0.45) ADAMTS4ADAMTS5CTSSCTSKKMT2A
SCHEMBL19866363 0.80 ADAMTS4 (0.45) ADAMTS4ADAMTS5CTSSCTSKKMT2A
SCHEMBL19984799 0.78 KMT2A (0.43) ADAMTS4ADAMTS5CTSSCTSKKMT2A
SCHEMBL19984971 0.77 ADAMTS4 (0.45) ADAMTS4ADAMTS5KMT2ANPC1RAB9A
SCHEMBL19984851 0.76 CTSS (0.43) ADAMTS4ADAMTS5CTSSCTSKKMT2A
SCHEMBL19984793 0.75 KMT2A (0.41) ADAMTS4ADAMTS5CTSSCTSKKMT2A

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-2018051255-A1 CYCLIC SUBSTITUTED-1,3,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-22 WO disclosed