SCHEMBL11057985

SCHEMBL11057985

Cc1ccc(C(=O)c2ccc(S(C)(=O)=O)n2CCC2C(=O)OC(C)(C)OC2=O)o1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL11062054 0.84 SMN1; SMN2 (0.34) GLANPSR1SMN1; SMN2ALDH1A1
SCHEMBL11057988 0.81 MDM2 (0.31)
SCHEMBL11064880 0.80 MAPT (0.36) ALDH1A1
SCHEMBL11055038 0.80 BACE1 (0.32) SMN1; SMN2
SCHEMBL11068879 0.79 CNR2 (0.31)
SCHEMBL11061676 0.79 KAT6A (0.32)
SCHEMBL11069050 0.78
SCHEMBL11064302 0.78 TSHR (0.39) NPSR1ALDH1A1
SCHEMBL11060953 0.73 HPGD (0.33) NPSR1ALDH1A1
SCHEMBL11090292 0.69 ALDH1A1 (0.32) GLANPSR1ALDH1A1

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