SCHEMBL8447834

SCHEMBL8447834

CCOC(=O)C(O)CN(CC(C)C)C(=O)NC(CC(=O)O)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 3/20 0.45
▸ POLB P06746 1/20 0.43
▸ MME P08473 4/20 0.41
▸ ACE P12821 4/20 0.41
▸ CTSA P10619 3/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ KEAP1 Q14145 2/20 0.40
▸ NFE2L2 Q16236 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL8451866 0.92 MME (0.50) CYP26A1POLBMMEACEFFAR1
SCHEMBL8452086 0.92 MME (0.46) CYP26A1MMEACESMN1; SMN2KDM4E
SCHEMBL8452846 0.90 POLB (0.43) CYP26A1POLBMMEACECTSA
SCHEMBL8453630 0.90 MME (0.51) CYP26A1POLBMMEACECTSA
SCHEMBL8453232 0.88 ALDH1A1 (0.43) CYP26A1MMEACEFFAR1KDM4E
SCHEMBL8447801 0.86 MME (0.52) POLBMMEACECTSASMN1; SMN2
SCHEMBL8447781 0.83 FFAR1 (0.42) CYP26A1POLBMMEACECTSA
SCHEMBL8447608 0.81 MME (0.47) MMEACESMN1; SMN2
SCHEMBL8447809 0.81 MME (0.44) POLBMMEACE
SCHEMBL8448437 0.81 MME (0.63) CYP26A1MMEACESMN1; SMN2

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-5891912-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-04-06 — — US disclosed
Send feedback