SCHEMBL9687989

SCHEMBL9687989

CCOC(=O)C(CCn1cccc1C(=O)c1ccsc1)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.38
L3MBTL1 Q9Y468 5/20 0.38
TDP1 Q9NUW8 5/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 3/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
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
SCHEMBL9689339 0.90 MEN1 (0.36) ELANEL3MBTL1TSHRMAPK1ALDH1A1
SCHEMBL9688628 0.84 ALDH1A1 (0.52) L3MBTL1TDP1TSHRALDH1A1MEN1
SCHEMBL9689342 0.81 ALDH1A1 (0.43) L3MBTL1TDP1TSHRMAPK1ALDH1A1
SCHEMBL9689107 0.81 TDP1 (0.41) L3MBTL1TDP1TSHRMAPK1ALDH1A1
SCHEMBL9688014 0.81 NPC1 (0.47) L3MBTL1TDP1TSHRMAPK1ALDH1A1
SCHEMBL9689730 0.81 ALDH1A1 (0.45) L3MBTL1TDP1TSHRMAPK1ALDH1A1
SCHEMBL9689977 0.80 TDP1 (0.36) L3MBTL1TDP1TSHRMAPK1ALDH1A1
SCHEMBL9687992 0.79 ALDH1A1 (0.39) L3MBTL1TDP1TSHRMAPK1ALDH1A1
SCHEMBL9688754 0.76 RECQL (0.43) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL9689163 0.76 RECQL (0.43) TSHRMAPK1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0486807-A1 Process for preparing 5-aroyl-2,3-dihydro-1H-pyrrolizine-1,1-dicarboxylates SYNTEX (U.S.A.) INC. (US) 1992-05-27 EP disclosed
US-5082951-A Process for preparing 5-aroyl-2,3-dihydro-1H-pyrrolizine-1,1-dicarboxylates (I) and intermediates therefor SYNTEX (U.S.A.) INC. (US) 1992-01-21 US disclosed