SCHEMBL8671876

SCHEMBL8671876

CC(C)CNC(=O)C1CC(C(=O)O)N(C(=O)CNC(=O)OC(C)(C)C)C1c1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.37
▸ TLR2 O60603 6/20 0.36
▸ TLR1 Q15399 6/20 0.36
▸ GPR119 Q8TDV5 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ SYK P43405 1/20 0.33
▸ ACE P12821 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33

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
SCHEMBL8670628 0.89 SIGMAR1 (0.41) SIGMAR1TLR2TLR1ACECTSS
SCHEMBL8667685 0.88 HDAC8 (0.38) SIGMAR1TLR2TLR1
SCHEMBL8672106 0.84 LMNA (0.37) SIGMAR1ACE
SCHEMBL8668252 0.84 SIGMAR1 (0.39) SIGMAR1TLR2TLR1SYKACE
SCHEMBL8666222 0.82 SIGMAR1 (0.40) SIGMAR1TLR2TLR1CTSSCTSK
SCHEMBL8670608 0.79 SIGMAR1 (0.38) SIGMAR1ACECTSSCTSK
SCHEMBL8668739 0.78 ACE (0.47) SIGMAR1TLR2TLR1ACE
SCHEMBL8671320 0.77 SIGMAR1 (0.41) SIGMAR1TLR2TLR1ACE
SCHEMBL8668622 0.75 GPR119 (0.33) GPR119
SCHEMBL8871032 0.75 ACE (0.46) SIGMAR1ACE

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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