SCHEMBL25854792

SCHEMBL25854792

CC(C)CC(=O)N1CC(C(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ POLB P06746 4/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PTPN1 P18031 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ XPNPEP2 O43895 1/20 0.37
▸ ACE P12821 1/20 0.37
▸ ATM Q13315 1/20 0.37

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
SCHEMBL26213401 0.85 PTPN1 (0.49) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL15566856 0.83 ALDH1A1 (0.50) SMN1; SMN2POLBNPSR1L3MBTL1KMT2A
SCHEMBL15607433 0.83 ALDH1A1 (0.50) SMN1; SMN2POLBNPSR1L3MBTL1KMT2A
SCHEMBL4145613 0.81 PTPN1 (0.55) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL24974012 0.79 SMN1; SMN2 (0.59) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL17190676 0.79 SMN1; SMN2 (0.53) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL15490020 0.79 SMN1; SMN2 (0.53) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL19104799 0.79 SMN1; SMN2 (0.53) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL15490016 0.78 SMN1; SMN2 (0.52) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1
SCHEMBL15490021 0.78 SMN1; SMN2 (0.52) SMN1; SMN2POLBNPSR1L3MBTL1PTPN1

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
WO-2023137307-A1 PROTOPORPHYRINOGEN OXIDASE INHIBITORS ENKO CHEM, INC. (US) 2023-07-20 — — WO disclosed
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