SCHEMBL10520357

SCHEMBL10520357

CCOC(=O)[C@H](CSCC(=O)NC1CCCC1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.45
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HTT P42858 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ FKBP1A P62942 3/20 0.37
▸ POLB P06746 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ USP2 O75604 1/20 0.33

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
SCHEMBL10520350 1.00 ACE (0.45) ACELMNASMN1; SMN2HTTCYP1A2
SCHEMBL10521862 0.89 ACE (0.58) ACELMNASMN1; SMN2KDM4EMAPT
SCHEMBL10521885 0.89 ACE (0.58) ACELMNASMN1; SMN2KDM4EMAPT
SCHEMBL10935346 0.89 CYP1A2 (0.50) ACELMNASMN1; SMN2HTTCYP1A2
SCHEMBL10935341 0.89 CYP1A2 (0.50) ACELMNASMN1; SMN2HTTCYP1A2
SCHEMBL10520981 0.85 ACE (0.50) ACELMNASMN1; SMN2FKBP1APOLB
SCHEMBL10520986 0.85 ACE (0.50) ACELMNASMN1; SMN2FKBP1APOLB
SCHEMBL10523869 0.84 CYP1A2 (0.46) LMNASMN1; SMN2HTTCYP1A2CYP2C9
SCHEMBL10523864 0.84 CYP1A2 (0.46) LMNASMN1; SMN2HTTCYP1A2CYP2C9
SCHEMBL10520260 0.81 ACE (0.45) ACELMNASMN1; SMN2HTTCYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4886813-A INHIBITORS OF ANGIOTENSIN CONVERTING ENZYME OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1989-12-12 — — US disclosed
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