SCHEMBL7534293

SCHEMBL7534293

COc1ccc2c(c1)-c1ccc3cc(OC)ccc3c1C2c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.47
ESR2 Q92731 5/20 0.47
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
CYP19A1 P11511 1/20 0.39
PTPN1 P18031 1/20 0.38
NPC1 O15118 1/20 0.38
PDE4D Q08499 1/20 0.38
XDH P47989 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37

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
SCHEMBL8966236 0.91 ESR1 (0.53) ESR1ESR2HTR2AHRH1CYP19A1
SCHEMBL7527912 0.90 ESR1 (0.46) ESR1ESR2CYP19A1NPC1MEN1
SCHEMBL8966091 0.90 ESR1 (0.57) ESR1ESR2HTR2AHRH1CYP19A1
SCHEMBL7535540 0.89 ESR1 (0.47) ESR1ESR2HTR2AHRH1CYP19A1
SCHEMBL7527845 0.86 ESR1 (0.45) ESR1ESR2HTR2AHRH1CYP19A1
SCHEMBL7523887 0.85 ESR1 (0.44) ESR1ESR2HTR2AHRH1CYP19A1
SCHEMBL7531367 0.85 ESR1 (0.44) ESR1ESR2HTR2AHRH1CYP19A1
SCHEMBL7530105 0.84 PTPN1 (0.41) ESR1ESR2CYP19A1PTPN1NPC1
SCHEMBL7533104 0.84 ESR1 (0.45) ESR1ESR2HTR2AHRH1CYP19A1
SCHEMBL7528465 0.83 ESR1 (0.52) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10130211-A None JP disclosed
EP-0832881-B1 Benzofluorene compounds, intermediates, compositions, and methods LILLY CO ELI (US) 2002-04-03 EP disclosed
JP-H10130211-A BENZOFLUORENE COMPOUND, INTERMEDIATE, COMPOSITION, AND METHOD ELI LILLY & CO 1998-05-19 JP disclosed
EP-0832881-A2 Benzofluorene compounds, intermediates, compositions, and methods ELI LILLY AND COMPANY (US) 1998-04-01 EP disclosed