SCHEMBL8672121

SCHEMBL8672121

CC(C)(C)OC(=O)NCC(=O)N1C(C(=O)O)CC(C(=O)N2CCCC2)C1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MMP1 P03956 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ TLR2 O60603 3/20 0.39
▸ TLR1 Q15399 3/20 0.39
▸ ACE P12821 2/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ADAM10 O14672 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ ADAM17 P78536 1/20 0.37
▸ PREP P48147 2/20 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
SCHEMBL8668231 0.90 SIGMAR1 (0.41) SIGMAR1L3MBTL1MMP1MMP9MMP13
SCHEMBL8668739 0.89 ACE (0.47) SIGMAR1L3MBTL1TLR2TLR1ACE
SCHEMBL8668227 0.84 SIGMAR1 (0.42) SIGMAR1L3MBTL1TLR2TLR1ACE
SCHEMBL8671320 0.83 SIGMAR1 (0.41) SIGMAR1TLR2TLR1ACEMEN1
SCHEMBL8666870 0.82 SIGMAR1 (0.43) SIGMAR1L3MBTL1MMP1MMP9MMP13
SCHEMBL8666222 0.82 SIGMAR1 (0.40) SIGMAR1L3MBTL1TLR2TLR1MEN1
SCHEMBL8669414 0.78 SIGMAR1 (0.43) SIGMAR1ACEHRH3PREP
SCHEMBL8670628 0.78 SIGMAR1 (0.41) SIGMAR1L3MBTL1TLR2TLR1ACE
SCHEMBL9005832 0.77 USP30 (0.38) ALDH1A1
SCHEMBL8871413 0.77 ACE (0.48) SIGMAR1L3MBTL1ACEKMT2A

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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