SCHEMBL9689142

SCHEMBL9689142

CCOC(=O)C(CCn1cccc1C(=O)c1ccc(Cl)cc1Cl)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
HSD17B10 Q99714 1/20 0.56
CNR2 P34972 3/20 0.47
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP2C9 P11712 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
ALOX12 P18054 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL9689173 0.90 SMN1; SMN2 (0.57) SMN1; SMN2HSD17B10CNR2CYP1A2CYP2C19
SCHEMBL9689107 0.79 TDP1 (0.41) SMN1; SMN2HSD17B10CNR2KMT2AMEN1
SCHEMBL9689290 0.79 SMN1; SMN2 (0.66) SMN1; SMN2HSD17B10CNR2CYP1A2CYP2C19
SCHEMBL9688628 0.78 ALDH1A1 (0.52) SMN1; SMN2KMT2AMEN1TDP1MAPT
SCHEMBL9689264 0.78 SMN1; SMN2 (0.64) SMN1; SMN2HSD17B10CNR2CYP1A2CYP2C19
SCHEMBL9689174 0.78 SMN1; SMN2 (0.64) SMN1; SMN2HSD17B10CNR2CYP1A2CYP2C19
SCHEMBL9689730 0.76 ALDH1A1 (0.45) SMN1; SMN2KMT2AMEN1POLBTDP1
SCHEMBL9689342 0.75 ALDH1A1 (0.43) SMN1; SMN2HSD17B10TDP1MAPTRAB9A
SCHEMBL10487745 0.75 SMN1; SMN2 (0.60) SMN1; SMN2HSD17B10CNR2CYP1A2CYP2C19
SCHEMBL9689319 0.74 TSHR (0.43) SMN1; SMN2HSD17B10CYP1A2CYP2C19KMT2A

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