SCHEMBL15744802

SCHEMBL15744802

Cc1cc(Oc2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(C)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c(C(C)(O)C(F)(F)F)c2)ccc1C(C)(O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 4/20 0.36
NR1H2 P55055 3/20 0.36
ESR1 P03372 3/20 0.35
ESR2 Q92731 2/20 0.35
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
BRD4 O60885 1/20 0.31
DRD1 P21728 2/20 0.30
LPAR1 Q92633 1/20 0.30
LPAR3 Q9UBY5 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
POLB P06746 1/20 0.30
GRM1 Q13255 1/20 0.30

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
SCHEMBL13220607 0.85 NR1H2 (0.41) NR1H3NR1H2ESR1ESR2MEN1
SCHEMBL13220616 0.84 MEN1 (0.34) NR1H3NR1H2ESR1ESR2MEN1
SCHEMBL15745962 0.84 NR1H3 (0.36) NR1H3NR1H2ESR1ESR2MEN1
SCHEMBL15745685 0.82 ALDH1A1 (0.37) ESR1ESR2MEN1ALDH1A1KMT2A
SCHEMBL15831667 0.81 NR1H3 (0.36) NR1H3NR1H2ESR1ESR2MEN1
SCHEMBL12153253 0.78 ESR1 (0.39) NR1H3NR1H2ESR1ESR2MEN1
SCHEMBL13292495 0.77 BRD4 (0.38) NR1H3NR1H2ESR1ESR2MEN1
SCHEMBL15745687 0.76 NR1H3 (0.36) NR1H3NR1H2ESR1ESR2MEN1
SCHEMBL12724505 0.76 NR1H2 (0.46) NR1H3NR1H2ESR1ESR2CA12
SCHEMBL25969184 0.76 MEN1 (0.38) NR1H3NR1H2ESR1ESR2MEN1

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-9056285-B2 Gas separation membrane CENTRAL GLASS COMPANY, LIMITED (JP) 2015-06-16 US disclosed
US-20140144325-A1 Gas Separation Membrane CENTRAL GLASS COMPANY, LIMITED (JP) 2014-05-29 US disclosed