SCHEMBL8447368

SCHEMBL8447368

CC(C)CN(CC(O)C(=O)O)C(=O)NC(CC(=O)O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 9/20 0.58
▸ ACE P12821 8/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CYP26A1 O43174 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ ITGB3 P05106 2/20 0.38
▸ ITGA2B P08514 2/20 0.38
▸ ITGAV P06756 1/20 0.38
▸ ITGB5 P18084 1/20 0.38
▸ ITGB6 P18564 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
SCHEMBL8453402 0.90 MME (0.47) MMEACESMN1; SMN2CYP26A1ALDH1A1
SCHEMBL8453630 0.90 MME (0.51) MMEACECYP26A1ALDH1A1LMNA
SCHEMBL8448437 0.90 MME (0.63) MMEACESMN1; SMN2CYP26A1KMT2A
SCHEMBL8448596 0.89 MME (0.47) MMEACESMN1; SMN2CYP26A1ALDH1A1
SCHEMBL8451301 0.89 MME (0.50) MMEACESMN1; SMN2CYP26A1ITGB3
SCHEMBL8452086 0.88 MME (0.46) MMEACESMN1; SMN2CYP26A1ALDH1A1
SCHEMBL8447886 0.88 MME (0.56) MMEACEALDH1A1LMNA
SCHEMBL8448568 0.88 MME (0.63) MMEACE
SCHEMBL8455915 0.87 MME (0.48) MMEACESMN1; SMN2CYP26A1ALDH1A1
SCHEMBL8523066 0.87 MME (0.49) MMEACEKMT2A

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