SCHEMBL8670628

SCHEMBL8670628

CC(C)(C)OC(=O)NCC(=O)N1C(C(=O)O)CC(C(=O)O)C1c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.41
▸ TLR2 O60603 3/20 0.36
▸ TLR1 Q15399 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ACE P12821 2/20 0.36
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPFFR1 Q9GZQ6 1/20 0.35
▸ NPFFR2 Q9Y5X5 1/20 0.35
▸ IDO1 P14902 1/20 0.34

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
SCHEMBL8667685 0.91 HDAC8 (0.38) SIGMAR1TLR2TLR1KMT2AMEN1
SCHEMBL8668252 0.90 SIGMAR1 (0.39) SIGMAR1TLR2TLR1KMT2AMEN1
SCHEMBL8671876 0.89 SIGMAR1 (0.37) SIGMAR1TLR2TLR1ACECTSS
SCHEMBL8666222 0.88 SIGMAR1 (0.40) SIGMAR1TLR2TLR1KMT2AMEN1
SCHEMBL8668739 0.88 ACE (0.47) SIGMAR1TLR2TLR1KMT2AMEN1
SCHEMBL8670608 0.85 SIGMAR1 (0.38) SIGMAR1KMT2AACECTSSCTSK
SCHEMBL8666972 0.83 ACE (0.41) KMT2AMEN1ACE
SCHEMBL8871032 0.82 ACE (0.46) SIGMAR1ACE
SCHEMBL8668227 0.79 SIGMAR1 (0.42) SIGMAR1TLR2TLR1KMT2ATSHR
SCHEMBL8666870 0.79 SIGMAR1 (0.43) SIGMAR1TLR2TLR1KMT2AMEN1

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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