SCHEMBL9688014

SCHEMBL9688014

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9687969 0.91 NPC1 (0.52) NPC1RAB9AALDH1A1ALOX15LMNA
SCHEMBL9688628 0.88 ALDH1A1 (0.52) NPC1RAB9AALDH1A1LMNATDP1
SCHEMBL9687992 0.84 ALDH1A1 (0.39) ALDH1A1LMNAPPARGPPARATDP1
SCHEMBL9689107 0.82 TDP1 (0.41) NPC1RAB9AALDH1A1TDP1TSHR
SCHEMBL9689730 0.81 ALDH1A1 (0.45) NPC1RAB9AALDH1A1LMNANPSR1
SCHEMBL9687989 0.81 ELANE (0.38) ALDH1A1LMNATDP1TSHRMAPK1
SCHEMBL9690007 0.79 RECQL (0.54) NPC1RAB9AALDH1A1LMNATSHR
SCHEMBL9689326 0.79 NPC1 (0.54) NPC1RAB9AALDH1A1ALOX15LMNA
SCHEMBL9689136 0.79 NPC1 (0.54) NPC1RAB9AALDH1A1ALOX15LMNA
SCHEMBL9690056 0.79 RAB9A (0.54) NPC1RAB9AALDH1A1ALOX15LMNA

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