SCHEMBL11061676

SCHEMBL11061676

CCc1cccc(C(=O)c2ccc(S(C)(=O)=O)n2CCC2C(=O)OC(C)(C)OC2=O)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.32
SMYD3 Q9H7B4 1/20 0.32
CNR2 P34972 1/20 0.32
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
VNN1 O95497 2/20 0.31
MAPK14 Q16539 1/20 0.30
PARG Q86W56 1/20 0.30

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
SCHEMBL11064390 0.87 PTGS2 (0.37)
SCHEMBL11062054 0.82 SMN1; SMN2 (0.34)
SCHEMBL11055038 0.82 BACE1 (0.32)
SCHEMBL11068879 0.80 CNR2 (0.31) CNR2
SCHEMBL11064302 0.79 TSHR (0.39)
SCHEMBL11064880 0.79 MAPT (0.36)
SCHEMBL11065845 0.79 ALDH1A1 (0.34) PARG
SCHEMBL11057988 0.78 MDM2 (0.31)
SCHEMBL9792291 0.75 MEN1 (0.35) CNR2VNN1
SCHEMBL11069050 0.75

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4458081-A ANTIINFLAMMATORY, ANALGESIC, ANTICOAGULANT, MUSCLE RELAXANT SYNTEX (U.S.A.) INC. (US) 1984-07-03 US disclosed
US-4454326-A 5-Aroyl 6-chloro or 6-bromo 1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1,1-di-carboxylates SYNTEX (U.S.A.) INC. (US) 1984-06-12 US disclosed
US-4347187-A Process for preparing 5-aroyl 1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acids and novel intermediates therein SYNTEX (U.S.A.) INC. (US) 1982-08-31 US disclosed
US-4347186-A Process for preparing 5-aroyl 1,2-dihydro-3-H pyrrolo[1,2-a]pyrrole-1-carboxylic acids and novel intermediates therein SYNTEX (U.S.A.) INC. (US) 1982-08-31 US disclosed