SCHEMBL10860399

SCHEMBL10860399

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.58
▸ LMNA P02545 5/20 0.56
▸ TSHR P16473 3/20 0.56
▸ ALDH1A1 P00352 4/20 0.55
▸ CHRM3 P20309 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ USP2 O75604 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ MAPT P10636 1/20 0.52
▸ GAA P10253 2/20 0.52
▸ THRB P10828 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL10860393 1.00 MAPK1 (0.58) MAPK1LMNATSHRALDH1A1CHRM3
SCHEMBL8207267 0.86 CAPN1 (0.53) MAPK1LMNATSHRALDH1A1CHRM3
SCHEMBL8207274 0.86 CAPN1 (0.53) MAPK1LMNATSHRALDH1A1CHRM3
SCHEMBL10862139 0.86 CAPN1 (0.53) MAPK1LMNATSHRALDH1A1CHRM3
SCHEMBL10862167 0.86 CAPN1 (0.53) MAPK1LMNATSHRALDH1A1CHRM3
SCHEMBL8207257 0.86 CAPN1 (0.53) MAPK1LMNATSHRALDH1A1CHRM3
SCHEMBL10996264 0.83 MAPK1 (0.48) MAPK1LMNATSHRALDH1A1CHRM3
SCHEMBL10996256 0.83 MAPK1 (0.48) MAPK1LMNATSHRALDH1A1CHRM3
SCHEMBL10996271 0.83 MAPK1 (0.48) MAPK1LMNATSHRALDH1A1CHRM3
SCHEMBL10861495 0.83 CAPN1 (0.56) MAPK1LMNATSHRALDH1A1CHRM3

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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