SCHEMBL9734727

SCHEMBL9734727

CCCCc1coc(C(=O)c2cccn2CCC2C(=O)OC(C)(C)OC2=O)c1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
CXCR1 P25024 1/20 0.31
CXCR2 P25025 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL9792255 0.84
SCHEMBL9689195 0.81 CASP3 (0.36) CASP3SENP8SENP7SENP6CXCR1
SCHEMBL9689827 0.80 CASP3 (0.35) CASP3SENP8SENP7SENP6CXCR1
SCHEMBL9687956 0.80 CASP3 (0.35) CASP3SENP8SENP7SENP6CXCR1
SCHEMBL9689783 0.79 TSHR (0.36)
SCHEMBL9689213 0.77 KMT2A (0.39)
SCHEMBL8812100 0.76 RECQL (0.50)
SCHEMBL9688728 0.74 MAPK1 (0.38) CASP3SENP8SENP7SENP6CXCR1
SCHEMBL9689312 0.74 CASP3 (0.34) CASP3SENP8SENP7SENP6CXCR1
SCHEMBL9689958 0.74 ALDH1A1 (0.37)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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