SCHEMBL14409262

SCHEMBL14409262

COc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(-c3cc(F)c(F)c(F)c3CO)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.53
ESR2 Q92731 17/20 0.53
PSMB1 P20618 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB2 P49721 1/20 0.48
FLT3 P36888 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL5417454 0.91 ENPP3 (0.48) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL1359436 0.90 ESR1 (0.56) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL1358365 0.88 ESR1 (0.54) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL1359801 0.88 ESR1 (0.56) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL1359583 0.87 ESR1 (0.57) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL1359828 0.87 ESR1 (0.56) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL1359724 0.86 ESR1 (0.56) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL1359127 0.86 ESR1 (0.56) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL5422551 0.86 ESR1 (0.58) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL1359297 0.85 ESR1 (0.55) ESR1ESR2PSMB1PSMB5PSMB2

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
US-7271264-B2 Pentacyclic oxepines and derivatives thereof, compositions and methods ELI LILLY AND COMPANY (US) 2007-09-18 US disclosed
US-7271264-B2 Pentacyclic oxepines and derivatives thereof, compositions and methods ELI LILLY AND COMPANY (US) 2007-09-18 US disclosed