SCHEMBL5510375

SCHEMBL5510375

Oc1cc2ccc(O)c(F)c2c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.42
ESR2 Q92731 9/20 0.42
CYP17A1 P05093 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
DAO P14920 1/20 0.32
DDO Q99489 1/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
DNMT1 P26358 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
MCL1 Q07820 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
PIM1 P11309 1/20 0.31
RNASEH1 O60930 1/20 0.31
PTPN11 Q06124 1/20 0.31
GPR35 Q9HC97 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31

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
SCHEMBL5509685 0.81 ESR1 (0.40) ESR1ESR2CYP17A1CYP11B1CYP11B2
SCHEMBL28692199 0.81 ESR1 (0.40) ESR1ESR2CYP17A1CYP11B1CYP11B2
SCHEMBL12912893 0.81 ESR1 (0.40) ESR1ESR2CYP17A1CYP11B1CYP11B2
SCHEMBL5513095 0.77 ESR1 (0.37) ESR1ESR2CYP17A1CYP11B1CYP11B2
SCHEMBL1248437 0.74 ESR1 (0.44) ESR1ESR2CYP17A1CYP11B1CYP11B2
SCHEMBL13853054 0.74 DAO (0.44) DAODDOMEN1ALDH1A1KMT2A
SCHEMBL5522365 0.74 ESR1 (0.45) ESR1ESR2CYP17A1CYP11B1CYP11B2
SCHEMBL3190747 0.74 HMGCR (0.42) ESR1ESR2MEN1KMT2APTPN11
SCHEMBL17771254 0.74 ALDH1A1 (0.41) ESR1ESR2MEN1ALDH1A1KMT2A
SCHEMBL5511545 0.74 ESR1 (0.35) ESR1ESR2CYP17A1CYP11B1CYP11B2

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-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed