SCHEMBL28630724

SCHEMBL28630724

Cc1cc(OC(=O)CC(=O)Oc2ccc([N+](=O)[O-])c(C)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
LMNA P02545 3/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.51
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 2/20 0.47

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
SCHEMBL3183674 0.93 TSHR (0.51) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL27818214 0.87 BCL9 (0.62) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL1429398 0.84 TSHR (0.54) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL11725640 0.83 ALDH1A1 (0.50) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL28474988 0.83 TSHR (0.53) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL27775918 0.82 NPC1 (0.50) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL31255362 0.81 ALDH1A1 (0.62) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL27798824 0.81 ALDH1A1 (0.62) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL27872409 0.79 MAPT (0.44) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL11228420 0.79 TSHR (0.49) ALDH1A1LMNANPC1RAB9ASMN1; SMN2

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
CN-108883099-B Thiazolidinone compounds and use thereof 石全 2021-09-28 CN disclosed