SCHEMBL11068879

SCHEMBL11068879

CC1(C)OC(=O)C(CCn2c(C(=O)c3ccsc3)ccc2S(C)(=O)=O)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.31
PTGS2 P35354 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
SCHEMBL9792235 0.88 CNR2 (0.33) CNR2
SCHEMBL11060460 0.84 HTT (0.38) PTGS2
SCHEMBL11055038 0.83 BACE1 (0.32)
SCHEMBL11061676 0.80 KAT6A (0.32) CNR2
SCHEMBL9690069 0.79 MEN1 (0.34) CNR2
SCHEMBL11062054 0.79 SMN1; SMN2 (0.34)
SCHEMBL11057985 0.79 GLA (0.33)
SCHEMBL11064880 0.79 MAPT (0.36)
SCHEMBL11069050 0.77
SCHEMBL11057988 0.77 MDM2 (0.31)

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