SCHEMBL11827837

SCHEMBL11827837

Cc1cc(CCC(Cl)C(=O)O)ccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.49
▸ PPARA Q07869 1/20 0.49
▸ MMP2 P08253 10/20 0.44
▸ MMP3 P08254 6/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ MMP9 P14780 4/20 0.42
▸ MMP14 P50281 4/20 0.42
▸ MMP13 P45452 3/20 0.42
▸ MMP1 P03956 3/20 0.42
▸ BMP1 P13497 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RARB P10826 1/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.40

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
SCHEMBL11837086 0.86 BACE1 (0.44) MMP2MMP9MMP14MMP13LMNA
SCHEMBL11823054 0.84 CSNK2A1 (0.53) MMP2MMP3MMP9MMP14MMP13
SCHEMBL11827993 0.84 PPARG (0.50) PPARGPPARAMMP2MMP3ESR2
SCHEMBL11830550 0.84 FOLH1 (0.46) PPARGPPARAMMP2MMP9MMP14
SCHEMBL11832248 0.83 KMT2A (0.39) PPARGPPARAMMP2MMP9MMP14
SCHEMBL11821466 0.83 CD274 (0.39) MMP2MMP3MMP9MMP14MMP13
SCHEMBL11828303 0.83 ADAMTS4 (0.41) PPARGPPARAMMP2MMP9MMP14
SCHEMBL11829226 0.83 FOLH1 (0.41) PPARGPPARAMMP2MMP9MMP14
SCHEMBL11837826 0.83 PTGS1 (0.49) MMP2MMP3MEN1LMNAKMT2A
SCHEMBL11838632 0.83 ADRB1 (0.45) PPARGPPARAMMP2MMP3GAA

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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