SCHEMBL9687969

SCHEMBL9687969

COC(=O)C(CCn1cccc1C(=O)c1ccc(OC)cc1)C(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
ALOX15 P16050 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9688014 0.91 NPC1 (0.47) NPC1RAB9APPARGPPARAALOX15
SCHEMBL9690007 0.89 RECQL (0.54) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL9687966 0.85 TAS1R3 (0.42) NPC1RAB9APPARGPPARAALDH1A1
SCHEMBL9689112 0.82 NPC1 (0.40) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL9690049 0.81 ALDH1A1 (0.39) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL9689339 0.81 MEN1 (0.36) NPC1RAB9AALDH1A1LMNAMEN1
SCHEMBL9689136 0.81 NPC1 (0.54) NPC1RAB9APPARGPPARAALOX15
SCHEMBL9689326 0.81 NPC1 (0.54) NPC1RAB9APPARGPPARAALOX15
SCHEMBL9690056 0.81 RAB9A (0.54) NPC1RAB9APPARGPPARAALOX15
SCHEMBL9689245 0.78 HPGD (0.46) NPC1RAB9AALDH1A1NPSR1SMN1; SMN2

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