SCHEMBL8668227

SCHEMBL8668227

CN(C)C(=O)C1CC(C(=O)O)N(C(=O)CNC(=O)OC(C)(C)C)C1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.42
▸ TLR2 O60603 4/20 0.40
▸ TLR1 Q15399 4/20 0.40
▸ ACE P12821 2/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ CYP3A4 P08684 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ BCL2L1 Q07817 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8668739 0.91 ACE (0.47) SIGMAR1TLR2TLR1ACEKDM1A
SCHEMBL8671320 0.85 SIGMAR1 (0.41) SIGMAR1TLR2TLR1ACERAB9A
SCHEMBL8672121 0.84 SIGMAR1 (0.45) SIGMAR1TLR2TLR1ACETSHR
SCHEMBL8666870 0.84 SIGMAR1 (0.43) SIGMAR1TLR2TLR1ACEKDM1A
SCHEMBL8668252 0.80 SIGMAR1 (0.39) SIGMAR1TLR2TLR1ACETSHR
SCHEMBL8670628 0.79 SIGMAR1 (0.41) SIGMAR1TLR2TLR1ACETSHR
SCHEMBL8668231 0.79 SIGMAR1 (0.41) SIGMAR1TLR2TLR1ACETSHR
SCHEMBL8671884 0.78 ACE (0.46) SIGMAR1ACEKDM1AMAOBCYP3A4
SCHEMBL8870406 0.77 ACE (0.53) ACE
SCHEMBL8668741 0.77 ACE (0.53) ACE

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-5707991-A TREATMENT OF NERVOUS SYSTEM DISORDERS, PARKINSON'S DISEASE RHONE-POULENC RORER S.A. (FR) 1998-01-13 — — US disclosed
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