SCHEMBL10861490

SCHEMBL10861490

CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCN(CC=Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.56
▸ LMNA P02545 3/20 0.47
▸ TSHR P16473 3/20 0.47
▸ CTSL P07711 2/20 0.46
▸ CTSB P07858 1/20 0.46
▸ CTSG P08311 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ CHRM3 P20309 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ THRB P10828 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ ALOX15 P16050 1/20 0.41

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
SCHEMBL10861495 1.00 CAPN1 (0.56) CAPN1LMNATSHRCTSLCTSB
SCHEMBL10861504 1.00 CAPN1 (0.56) CAPN1LMNATSHRCTSLCTSB
Sulfuric Acid SCHEMBL29634308 0.97 CAPN1 (0.53) CAPN1LMNATSHRCTSLCTSB
SCHEMBL8207267 0.90 CAPN1 (0.53) CAPN1LMNATSHRL3MBTL1MAPK1
SCHEMBL10862167 0.90 CAPN1 (0.53) CAPN1LMNATSHRL3MBTL1MAPK1
SCHEMBL10862139 0.90 CAPN1 (0.53) CAPN1LMNATSHRL3MBTL1MAPK1
SCHEMBL8207257 0.90 CAPN1 (0.53) CAPN1LMNATSHRL3MBTL1MAPK1
SCHEMBL8207274 0.90 CAPN1 (0.53) CAPN1LMNATSHRL3MBTL1MAPK1
SCHEMBL10996271 0.87 MAPK1 (0.48) CAPN1LMNATSHRL3MBTL1MAPK1
SCHEMBL10996256 0.87 MAPK1 (0.48) CAPN1LMNATSHRL3MBTL1MAPK1

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
US-4596803-A Treating myocardial infarction NIPPON CHEMIPHAR CO., LTD. (JP) 1986-06-24 — — US disclosed
US-4507297-A MYOCARDIAL INFARCTION NIPPON CHEMIPHAR CO., LTD. (JP) 1985-03-26 — — US disclosed
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