SCHEMBL9689112

SCHEMBL9689112

COC(=O)C(CCn1cccc1C(=O)c1cccn1C)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
CNR2 P34972 1/20 0.39
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.37
MAOB P27338 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9689107 0.88 TDP1 (0.41) NPC1RAB9ASMN1; SMN2CNR2HSD17B10
SCHEMBL9690007 0.85 RECQL (0.54) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL9687969 0.82 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL9689245 0.82 HPGD (0.46) NPC1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL9688171 0.81 PADI1 (0.41) NPC1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL9792307 0.81 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL9689339 0.80 MEN1 (0.36) NPC1RAB9AMAPTCNR2HSD17B10
SCHEMBL9690049 0.80 ALDH1A1 (0.39) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL9687966 0.79 TAS1R3 (0.42) NPC1RAB9AMAPTCNR2ALDH1A1
SCHEMBL9689149 0.79 LMNA (0.39) NPC1RAB9ASMN1; SMN2MAPTCNR2

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