SCHEMBL11058804

SCHEMBL11058804

COC(=O)C(CCn1c(C(=O)c2ccsc2)ccc1S(C)(=O)=O)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.32
PLAU P00749 1/20 0.32
HTR1A P08908 1/20 0.31
HSD17B10 Q99714 2/20 0.31
TSHR P16473 1/20 0.31
C5AR1 P21730 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
HDAC1 Q13547 1/20 0.30
NPC1 O15118 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
HSD11B1 P28845 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
SCHEMBL9792189 0.87 ELANE (0.34) ELANEPLAUHTR1AHSD17B10TSHR
SCHEMBL11059125 0.84 EPHX2 (0.36) KDM4ENPC1
SCHEMBL11060324 0.83 HTT (0.37) ELANEPLAUHPGD
SCHEMBL11057977 0.82 HPGD (0.42) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL11060434 0.82 SMN1; SMN2 (0.34) TSHRALDH1A1GAANPSR1NPC1
SCHEMBL11082200 0.82 ELANE (0.32) ELANEPLAUHTR1AHSD17B10TSHR
SCHEMBL11064181 0.80 DAO (0.35)
SCHEMBL11060122 0.79 ALDH1A1 (0.43) ALDH1A1NPSR1CES2CES1HSD11B1
SCHEMBL11060469 0.78 ALDH1A1 (0.38) TSHRALDH1A1NPSR1
SCHEMBL11060436 0.77 MAPT (0.36) TSHRALDH1A1KDM4EHPGDNPSR1

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