SCHEMBL8965880

SCHEMBL8965880

COc1ccc2c(c1)C(c1ccc(OCCN(C)C)cc1)c1c-2ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAD52 P43351 2/20 0.45
ESR1 P03372 3/20 0.44
ESR2 Q92731 2/20 0.44
SLC2A1 P11166 1/20 0.43
PTPN1 P18031 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTR2A P28223 1/20 0.42
ITGA4 P13612 1/20 0.42
NAPEPLD Q6IQ20 1/20 0.42
TNKS O95271 1/20 0.41
HTR1B P28222 1/20 0.41
PAX8 Q06710 1/20 0.41
TOP1 P11387 1/20 0.41
KDR P35968 1/20 0.40
LTA4H P09960 1/20 0.40
MAOB P27338 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL8965886 0.90 PTPN1 (0.44) MEN1KMT2ARAD52ESR1ESR2
SCHEMBL8970603 0.89 ESR1 (0.42) MEN1KMT2ARAD52ESR1ESR2
SCHEMBL17765400 0.83 TP53 (0.44) ESR1ESR2HTR2AMAOB
SCHEMBL8966126 0.82 ESR1 (0.66) ESR1ESR2LTA4H
SCHEMBL8965793 0.81 ESR1 (0.68) ESR1ESR2LTA4H
SCHEMBL8966242 0.81 ESR1 (0.68) ESR1ESR2LTA4H
SCHEMBL8966375 0.81 ESR1 (0.46) MEN1KMT2AESR1ESR2PTPN1
SCHEMBL7527079 0.81 ESR1 (0.42) ESR1ESR2KDM4EALDH1A1KDR
SCHEMBL7528465 0.80 ESR1 (0.52) ESR1ESR2KDRFLT3
SCHEMBL8965875 0.80 TP53 (0.37) MEN1KMT2ARAD52ESR1ESR2

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-0524742-B1 Benzo(a)fluorene compounds LILLY CO ELI (US) 1996-02-28 EP disclosed
EP-0524742-A2 Benzo(a)fluorene compounds ELI LILLY AND COMPANY (US) 1993-01-27 EP disclosed
US-5147880-A Estrogenic and antiestrogenic activity ELI LILLY AND COMPANY (US) 1992-09-15 US disclosed