SCHEMBL9689254

SCHEMBL9689254

CCOC(=O)C(CCn1cccc1C(=S)c1ccc(C)cc1)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
AURKA O14965 1/20 0.35
NTRK1 P04629 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
L3MBTL1 Q9Y468 5/20 0.34
MAPK1 P28482 4/20 0.34
TSHR P16473 3/20 0.34
ALDH1A1 P00352 2/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
PTPN1 P18031 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ELANE P08246 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
SCHEMBL9688067 0.91 KDM4E (0.41) MEN1KMT2AKDM4ETDP1L3MBTL1
SCHEMBL9688628 0.79 ALDH1A1 (0.52) MEN1KMT2ATDP1L3MBTL1TSHR
SCHEMBL9689730 0.78 ALDH1A1 (0.45) MEN1KMT2AKDM4ETDP1L3MBTL1
SCHEMBL9688014 0.78 NPC1 (0.47) MEN1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL9689107 0.78 TDP1 (0.41) MEN1KMT2AKDM4ETDP1L3MBTL1
SCHEMBL9687992 0.76 ALDH1A1 (0.39) MEN1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL9688717 0.75 HDAC8 (0.38) MEN1KMT2AKDM4EMAPK1TSHR
SCHEMBL9690017 0.75 ALDH1A1 (0.35) MEN1KMT2AKDM4EMAPK1TSHR
SCHEMBL9688726 0.75 ALDH1A1 (0.35) MEN1KMT2AKDM4EMAPK1TSHR
SCHEMBL9687989 0.74 ELANE (0.38) MEN1KMT2AKDM4ETDP1L3MBTL1

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