SCHEMBL8860462

SCHEMBL8860462

CC(C)(C)OC(=O)NCC(=O)N1[C@@H](c2ccccc2F)SC[C@H]1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.39
▸ ACE P12821 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ NAMPT P43490 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ NPFFR1 Q9GZQ6 1/20 0.33
▸ NPFFR2 Q9Y5X5 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
SCHEMBL8860452 1.00 SIGMAR1 (0.39) SIGMAR1ACEMAPTMEN1ALDH1A1
SCHEMBL8871032 0.92 ACE (0.46) SIGMAR1ACE
SCHEMBL8860574 0.86 ACE (0.40) ACEMAPTMEN1ALDH1A1KMT2A
SCHEMBL8860377 0.86 ACE (0.40) ACEMAPTMEN1ALDH1A1KMT2A
SCHEMBL8870833 0.82 CASR (0.36) MEN1ALDH1A1KMT2APOLB
SCHEMBL8870841 0.82 CASR (0.36) MEN1ALDH1A1KMT2APOLB
SCHEMBL8829085 0.82 ACE (0.45) SIGMAR1ACEALDH1A1POLB
SCHEMBL8144727 0.81 USP30 (0.36) ACEMAPTTSHR
SCHEMBL7576506 0.81 USP30 (0.36) ACEMAPTTSHR
SCHEMBL8870781 0.80 IDO1 (0.34) 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-5637602-A NERVOUS SYSTEM DISORDERS; GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-06-10 — — US disclosed
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