SCHEMBL9687992

SCHEMBL9687992

C=Cc1ccc(C(=O)c2cccn2CCC(C(=O)OCC)C(=O)OCC)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
TDP1 Q9NUW8 3/20 0.36
MAPK1 P28482 3/20 0.35
CNR2 P34972 1/20 0.34

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
SCHEMBL9687966 0.90 TAS1R3 (0.42) ALDH1A1L3MBTL1TSHRMEN1LMNA
SCHEMBL9688628 0.86 ALDH1A1 (0.52) ALDH1A1L3MBTL1TSHRMEN1LMNA
SCHEMBL9688014 0.84 NPC1 (0.47) ALDH1A1L3MBTL1TSHRMEN1LMNA
SCHEMBL9689107 0.80 TDP1 (0.41) ALDH1A1L3MBTL1TSHRMEN1KMT2A
SCHEMBL9689730 0.80 ALDH1A1 (0.45) ALDH1A1L3MBTL1TSHRMEN1LMNA
SCHEMBL9687989 0.79 ELANE (0.38) ALDH1A1L3MBTL1TSHRMEN1LMNA
SCHEMBL9688779 0.77 RECQL (0.46) ALDH1A1TSHRMEN1LMNAMAPT
SCHEMBL9688742 0.77 LMNA (0.46) ALDH1A1TSHRMEN1LMNAMAPT
SCHEMBL9689317 0.77 LMNA (0.46) ALDH1A1TSHRMEN1LMNAMAPT
SCHEMBL9689254 0.76 MEN1 (0.43) ALDH1A1L3MBTL1TSHRMEN1KMT2A

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