SCHEMBL9689977

SCHEMBL9689977

CCOC(=O)C(CCn1cccc1C(=O)c1sccc1CC)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
TSHR P16473 4/20 0.36
MAPK1 P28482 3/20 0.36
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CNR2 P34972 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PKM P14618 1/20 0.34
EPHX2 P34913 1/20 0.34
RORC P51449 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL9689149 0.91 LMNA (0.39) TDP1ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL9689342 0.84 ALDH1A1 (0.43) TDP1ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL9689107 0.81 TDP1 (0.41) TDP1ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL9688628 0.80 ALDH1A1 (0.52) TDP1ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL9687989 0.80 ELANE (0.38) TDP1ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL9689262 0.79 CNR2 (0.36) ALDH1A1TSHRMAPK1LMNAMAPT
SCHEMBL9689866 0.79 MAPT (0.35) ALDH1A1TSHRMAPK1LMNAMAPT
SCHEMBL9689705 0.79 MAPT (0.35) ALDH1A1TSHRMAPK1LMNAMAPT
SCHEMBL9688014 0.78 NPC1 (0.47) TDP1ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL9689319 0.76 TSHR (0.43) TDP1ALDH1A1L3MBTL1TSHRMAPK1

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