SCHEMBL10862167

SCHEMBL10862167

CC(C)CC(NC(=O)C1OC1C(=O)O)C(=O)N1CCN(C/C=C/c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 3/20 0.53
▸ MAPK1 P28482 2/20 0.51
▸ CHRM3 P20309 1/20 0.50
▸ LMNA P02545 5/20 0.49
▸ TSHR P16473 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ GAA P10253 3/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8207274 1.00 CAPN1 (0.53) CAPN1MAPK1CHRM3LMNATSHR
SCHEMBL10862139 1.00 CAPN1 (0.53) CAPN1MAPK1CHRM3LMNATSHR
SCHEMBL8207267 1.00 CAPN1 (0.53) CAPN1MAPK1CHRM3LMNATSHR
SCHEMBL8207257 1.00 CAPN1 (0.53) CAPN1MAPK1CHRM3LMNATSHR
SCHEMBL10996256 0.93 MAPK1 (0.48) CAPN1MAPK1CHRM3LMNATSHR
SCHEMBL10996264 0.93 MAPK1 (0.48) CAPN1MAPK1CHRM3LMNATSHR
SCHEMBL10996271 0.93 MAPK1 (0.48) CAPN1MAPK1CHRM3LMNATSHR
SCHEMBL10861490 0.90 CAPN1 (0.56) CAPN1MAPK1CHRM3LMNATSHR
SCHEMBL10861495 0.90 CAPN1 (0.56) CAPN1MAPK1CHRM3LMNATSHR
SCHEMBL10861504 0.90 CAPN1 (0.56) CAPN1MAPK1CHRM3LMNATSHR

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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