SCHEMBL11065768

SCHEMBL11065768

CCCCn1cccc1C(=O)c1ccc(S(C)(=O)=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.36
▸ CNR1 P21554 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ AGTR1 P30556 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ PKM P14618 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
SCHEMBL11058847 0.80 SMN1; SMN2 (0.40) MEN1MAPTKMT2ATSHRCYP3A4
SCHEMBL11083710 0.79 CNR2 (0.37) CNR2CNR1ALDH1A1LMNAMEN1
SCHEMBL12493344 0.74 CNR2 (0.49) CNR2CNR1ALDH1A1LMNAMEN1
SCHEMBL27840672 0.71 LMNA (0.47) CNR2CNR1ALDH1A1LMNAMEN1
SCHEMBL5252375 0.71 CNR2 (0.43) CNR2CNR1ALDH1A1LMNAMEN1
SCHEMBL1606849 0.71 CNR2 (0.42) CNR2CNR1ALDH1A1LMNAMEN1
SCHEMBL29225364 0.70 CNR1 (0.42) CNR2CNR1ALDH1A1MAPTTSHR
SCHEMBL11265465 0.70 CNR2 (0.42) CNR2CNR1ALDH1A1LMNAMEN1
SCHEMBL10512990 0.70 CNR2 (0.41) CNR2CNR1ALDH1A1LMNAMEN1
SCHEMBL29225350 0.69 EPHX2 (0.44) CNR2CNR1ALDH1A1LMNAMAPT

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
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