SCHEMBL11060883

SCHEMBL11060883

COC(=O)C(CCn1c(C(=O)c2ccco2)ccc1S(C)(=O)=O)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI1 Q9ULC6 1/20 0.40
PADI4 Q9UM07 1/20 0.40
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 3/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 4/20 0.34
ALOX15 P16050 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK10 P53779 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL9792233 0.86 PADI1 (0.40) PADI1PADI4ALDH1A1KDM4EPOLB
SCHEMBL11061857 0.83 MAPT (0.32) ALDH1A1KDM4ETSHRMAPK1NPC1
SCHEMBL11060953 0.83 HPGD (0.33) NPSR1ALDH1A1KDM4EPOLBKMT2A
SCHEMBL11060527 0.82 PTGS2 (0.34) NPSR1ALDH1A1
SCHEMBL11061784 0.82 PADI1 (0.39) PADI1PADI4ALDH1A1KDM4EPOLB
SCHEMBL11060469 0.81 ALDH1A1 (0.38) NPSR1ALDH1A1POLBKMT2ATSHR
SCHEMBL11057977 0.80 HPGD (0.42) ALDH1A1KDM4EGAAKMT2ATSHR
SCHEMBL11060436 0.80 MAPT (0.36) NPSR1ALDH1A1KDM4EKMT2ATSHR
SCHEMBL11059125 0.79 EPHX2 (0.36) KDM4EKMT2AMAPK1MEN1NPC1
SCHEMBL11060324 0.78 HTT (0.37) POLBL3MBTL1SMN1; SMN2MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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