SCHEMBL11060434

SCHEMBL11060434

CCC(=O)c1ccc(C(=O)c2ccc(S(C)(=O)=O)n2CCC(C(=O)OC)C(=O)OC)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 2/20 0.34
MEN1 O00255 2/20 0.34
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 4/20 0.31
HTT P42858 2/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
ABCB1 P08183 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
POLB P06746 1/20 0.30
CYP2D6 P10635 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30
ALOX15 P16050 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
SCHEMBL11059125 0.89 EPHX2 (0.36) MAPTKMT2ARAB9ANPC1MEN1
SCHEMBL11060324 0.88 HTT (0.37) SMN1; SMN2MAPTHTTPOLBL3MBTL1
SCHEMBL11058804 0.82 ELANE (0.32) NPC1GAAALDH1A1TSHRNPSR1
SCHEMBL11064950 0.81 SMN1; SMN2 (0.34) SMN1; SMN2MAPTKMT2ARAB9ANPC1
SCHEMBL11060469 0.81 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1TSHRMAPK1
SCHEMBL11060122 0.80 ALDH1A1 (0.43) ALDH1A1NPSR1L3MBTL1
SCHEMBL11060436 0.78 MAPT (0.36) SMN1; SMN2MAPTKMT2ANPC1ALDH1A1
SCHEMBL11057977 0.78 HPGD (0.42) SMN1; SMN2KMT2ARAB9ANPC1GAA
SCHEMBL11057980 0.78 TSHR (0.43) SMN1; SMN2KMT2AALDH1A1HTTTSHR
SCHEMBL11060953 0.77 HPGD (0.33) MAPTKMT2AMEN1ALDH1A1TSHR

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