SCHEMBL11060469

SCHEMBL11060469

CCc1cccc(C(=O)c2ccc(S(C)(=O)=O)n2CCC(C(=O)OC)C(=O)OC)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
KAT6A Q92794 2/20 0.36
SLC7A5 Q01650 1/20 0.35
FOLH1 Q04609 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL11060122 0.87 ALDH1A1 (0.43) ALDH1A1NPSR1L3MBTL1
SCHEMBL11065067 0.83 LOXL2 (0.38) ALDH1A1LOXL2MAPK1L3MBTL1TSHR
SCHEMBL11059125 0.81 EPHX2 (0.36) MAPK1MEN1KMT2A
SCHEMBL11060324 0.80 HTT (0.37) L3MBTL1POLB
SCHEMBL11057980 0.79 TSHR (0.43) ALDH1A1NPSR1MAPK1L3MBTL1TSHR
SCHEMBL11058804 0.78 ELANE (0.32) ALDH1A1NPSR1TSHR
SCHEMBL11057977 0.77 HPGD (0.42) ALDH1A1L3MBTL1TSHRKMT2A
SCHEMBL11060436 0.77 MAPT (0.36) ALDH1A1NPSR1L3MBTL1TSHRKAT6A
SCHEMBL11060953 0.76 HPGD (0.33) ALDH1A1NPSR1TSHRMEN1POLB
SCHEMBL11060527 0.76 PTGS2 (0.34) ALDH1A1NPSR1

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