SCHEMBL9688728

SCHEMBL9688728

CCCCc1coc(C(=O)c2cccn2CCC(C(=O)OCC)C(=O)OCC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 4/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.34
CNR2 P34972 1/20 0.33
PTPN1 P18031 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
RORA P35398 1/20 0.32
NR5A1 Q13285 1/20 0.32
PPARG P37231 1/20 0.31

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
SCHEMBL9689312 0.92 CASP3 (0.34) CNR2MEN1KMT2ACASP3SENP8
SCHEMBL9689195 0.83 CASP3 (0.36) ALDH1A1CNR2MEN1KMT2ACASP3
SCHEMBL9689827 0.82 CASP3 (0.35) ALDH1A1CNR2MEN1KMT2ACASP3
SCHEMBL9687956 0.82 CASP3 (0.35) ALDH1A1CNR2MEN1KMT2ACASP3
SCHEMBL9689319 0.80 TSHR (0.43) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL9689107 0.76 TDP1 (0.41) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL9688628 0.75 ALDH1A1 (0.52) L3MBTL1TDP1TSHRALDH1A1MEN1
SCHEMBL9734727 0.74 CASP3 (0.31) CNR2CASP3SENP8SENP7SENP6
SCHEMBL9689730 0.73 ALDH1A1 (0.45) MAPK1L3MBTL1TDP1TSHRALDH1A1
SCHEMBL9792274 0.73 P2RX3 (0.34) CNR2

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