SCHEMBL9531498

SCHEMBL9531498

O=CC=CC(=O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.47
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
CYP2D6 P10635 1/20 0.41
KIF11 P52732 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SRC P12931 1/20 0.36
LMNA P02545 4/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SRD5A2 P31213 1/20 0.36
MAPK1 P28482 2/20 0.35
TRPA1 O75762 1/20 0.35
ALOX5 P09917 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
CDK4 P11802 1/20 0.35

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
SCHEMBL9531492 1.00 HCAR2 (0.47) HCAR2ESR1ESR2CYP2D6KIF11
SCHEMBL8625307 0.87 HCAR2 (0.59) HCAR2ESR1ESR2CYP2D6KIF11
SCHEMBL27534210 0.87 HCAR2 (0.59) HCAR2ESR1ESR2CYP2D6KIF11
SCHEMBL8625297 0.87 HCAR2 (0.59) HCAR2ESR1ESR2CYP2D6KIF11
SCHEMBL10424372 0.83 HCAR2 (0.45) HCAR2ESR1ESR2CYP2D6KIF11
SCHEMBL27704799 0.83 HCAR2 (0.49) HCAR2ESR1ESR2CYP2D6KIF11
SCHEMBL27534212 0.81 HCAR2 (0.69) HCAR2ESR1ESR2CYP2D6CRHBP
SCHEMBL28803484 0.81 HCAR2 (0.69) HCAR2ESR1ESR2CYP2D6CRHBP
SCHEMBL10983709 0.81 ESR1 (0.50) HCAR2ESR1ESR2CYP2D6KIF11
SCHEMBL11156533 0.80 HCAR2 (0.53) HCAR2ESR1ESR2CYP2D6KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252744-B1 3-Beta-(3,4-disubstituted succinimido)azetidinones LILLY CO ELI (US) 1993-12-15 EP disclosed
US-4734498-A 3β-succinimidoazetidinones as chiral intermediates ELI LILLY AND COMPANY (US) 1988-03-29 US disclosed
EP-0252744-A2 3-Beta-(3,4-disubstituted succinimido)azetidinones ELI LILLY AND COMPANY (US) 1988-01-13 EP disclosed