SCHEMBL9689173

SCHEMBL9689173

COC(=O)C(CCn1cccc1C(=O)c1ccc(Cl)cc1Cl)C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
HSD17B10 Q99714 1/20 0.57
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CNR2 P34972 3/20 0.47
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 3/20 0.40
CYP2C9 P11712 2/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL9689142 0.90 SMN1; SMN2 (0.56) SMN1; SMN2HSD17B10CYP1A2CYP2C19CNR2
SCHEMBL9792251 0.81 CYP1A2 (0.49) SMN1; SMN2HSD17B10CYP1A2CYP2C19MAPT
SCHEMBL9689290 0.80 SMN1; SMN2 (0.66) SMN1; SMN2HSD17B10CYP1A2CYP2C19CNR2
SCHEMBL9689174 0.78 SMN1; SMN2 (0.64) SMN1; SMN2HSD17B10CYP1A2CYP2C19CNR2
SCHEMBL9689112 0.78 NPC1 (0.40) SMN1; SMN2HSD17B10CNR2MAPTRAB9A
SCHEMBL9689264 0.78 SMN1; SMN2 (0.64) SMN1; SMN2HSD17B10CYP1A2CYP2C19CNR2
SCHEMBL9690007 0.77 RECQL (0.54) SMN1; SMN2CYP1A2CYP2C19MAPTRAB9A
SCHEMBL10487745 0.75 SMN1; SMN2 (0.60) SMN1; SMN2HSD17B10CYP1A2CYP2C19CNR2
SCHEMBL9690049 0.75 ALDH1A1 (0.39) MAPTRAB9AKMT2AMEN1KDM4E
SCHEMBL9687969 0.74 NPC1 (0.52) SMN1; SMN2MAPTRAB9AKMT2AMEN1

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