SCHEMBL17030280

SCHEMBL17030280

COC(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H](C)N1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ TSHR P16473 2/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SLC6A3 Q01959 6/20 0.38
▸ SLC6A4 P31645 4/20 0.38
▸ SLC6A2 P23975 3/20 0.38
▸ ATM Q13315 1/20 0.38

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
SCHEMBL19741606 0.73 KMT2A (0.48) POLBMEN1MAPTKMT2AALDH1A1
SCHEMBL17030267 0.73 POLB (0.44) POLBTSHRMEN1MAPTKMT2A
SCHEMBL19741607 0.70 GAA (0.48) POLBTSHRMEN1MAPTKMT2A
SCHEMBL14225120 0.65 POLB (0.89) POLBTSHRMAPTALDH1A1MAPK1
SCHEMBL19355164 0.65 POLB (0.89) POLBTSHRMAPTALDH1A1MAPK1
SCHEMBL8067771 0.65 POLB (0.82) POLBTSHRMAPTALDH1A1MAPK1
SCHEMBL8067775 0.65 POLB (0.82) POLBTSHRMAPTALDH1A1MAPK1
SCHEMBL14025828 0.65 GAA (0.46) POLBMEN1MAPTKMT2AALDH1A1
SCHEMBL694516 0.65 GAA (0.46) POLBMEN1MAPTKMT2AALDH1A1
SCHEMBL14025826 0.65 GAA (0.46) POLBMEN1MAPTKMT2AALDH1A1

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
WO-2015124663-A1 ENANTIOPURE TETRASUBSTITUTED PYRROLIDINES AS SCAFFOLDS FOR PROTEASOME INHIBITORS AND MEDICINAL APPLICATIONS THEREOF IKERCHEM, S.L. (ES) 2015-08-27 — — WO disclosed
EP-2910557-A1 Enantiopure tetrasubstituted pyrrolidines as scaffolds for proteasome inhibitors and medicinal applications thereof Ikerchem, S.L. (ES) 2015-08-26 — — EP disclosed
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