SCHEMBL11837145

SCHEMBL11837145

CC(=O)SC(CC(=O)O)Cc1ccccc1-c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.40
▸ MME P08473 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ FFAR2 O15552 2/20 0.36
▸ TSHR P16473 1/20 0.35
▸ CTSA P10619 5/20 0.35
▸ CXCL8 P10145 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 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
SCHEMBL11837137 0.82 MME (0.55) MMEKMT2AFFAR2MEN1
SCHEMBL11828631 0.77 DPP4 (0.46) DPP4MMEKMT2AFFAR2CTSA
SCHEMBL6155924 0.75 CPA1 (0.51) KMT2ATSHRMEN1HPGD
SCHEMBL11831432 0.74 DPP4 (0.40) DPP4HSP90AA1HSP90AB1KMT2ATSHR
SCHEMBL11826532 0.73 CSNK2A1 (0.46) MME
SCHEMBL11834777 0.71 MMP12 (0.48) MMETSHR
SCHEMBL9890641 0.70 CXCL8 (0.57) DPP4CXCL8
SCHEMBL7037470 0.70 MMP12 (0.47) DPP4KMT2ATSHRMEN1HPGD
SCHEMBL11831274 0.69 GABRA1 (0.39) AKR1C2
SCHEMBL11824498 0.68 CDC25A (0.37) MMEHSP90AA1HSP90AB1CTSAHPGD

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-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — US disclosed
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