SCHEMBL5361141

SCHEMBL5361141

COC(=O)c1ccccc1[C@@H]1[C@@H](C=O)CN(S(=O)(=O)c2ccc(C)cc2)C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
GBA1 P04062 1/20 0.37
ALDH1A1 P00352 6/20 0.36
HSD17B10 Q99714 4/20 0.36
KDM4E B2RXH2 4/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 3/20 0.34
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
PKM P14618 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL5395197 0.89 KMT2A (0.41) KMT2AMEN1GBA1ALDH1A1HSD17B10
SCHEMBL5361146 0.84 GLA (0.41) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL2682607 0.84 GLA (0.41) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL5349386 0.83 MEN1 (0.36) KMT2AMEN1GBA1ALDH1A1HSD17B10
SCHEMBL2683681 0.74 GLA (0.43) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL2682454 0.72 GLA (0.41) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL5399837 0.72 GLA (0.41) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL2683217 0.72 CTSG (0.37) KMT2AMEN1GBA1ALDH1A1LMNA
SCHEMBL2683687 0.72 CTSG (0.37) KMT2AMEN1GBA1ALDH1A1LMNA
SCHEMBL3906119 0.69 LMNA (0.43) KMT2AMEN1ALDH1A1LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863763-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-12-12 EP disclosed
WO-2006103275-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 WO disclosed