SCHEMBL15745685

SCHEMBL15745685

Cc1cc(C)c(C(C)(O)C(F)(F)F)cc1-c1cc(C(C)(O)C(F)(F)F)c(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
GAA P10253 1/20 0.37
ESR1 P03372 3/20 0.36
ESR2 Q92731 1/20 0.36
PKM P14618 1/20 0.36
BRD4 O60885 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.35
POLB P06746 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
DRD1 P21728 2/20 0.33
APP P05067 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL15745688 0.89 ESR1 (0.38) ALDH1A1MEN1KMT2AESR1ESR2
SCHEMBL15745690 0.86 APEX1 (0.40) ALDH1A1MEN1KMT2AESR1ESR2
SCHEMBL15745962 0.86 NR1H3 (0.36) ALDH1A1MEN1KMT2AESR1ESR2
SCHEMBL15745687 0.86 NR1H3 (0.36) ALDH1A1MEN1KMT2AESR1ESR2
SCHEMBL15745686 0.85 ALDH1A1 (0.44) ALDH1A1ESR1ESR2KDM4EPOLB
SCHEMBL15744802 0.82 NR1H3 (0.36) ALDH1A1MEN1KMT2AGAAESR1
SCHEMBL15745682 0.74 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AGAAPKM
SCHEMBL19465263 0.73 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AGAAESR1
SCHEMBL13966981 0.72 BRD4 (0.38) ALDH1A1MEN1KMT2AGAAESR1
SCHEMBL13220607 0.72 NR1H2 (0.41) ALDH1A1MEN1KMT2AGAAESR1

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-9793483-B2 Hexafluoroisopropanol group-containing diamine, polyimide and polyamide using same, cyclized product thereof, and method for producing same CENTRAL GLASS COMPANY, LIMITED (JP) 2017-10-17 US disclosed
US-20140148571-A1 Hexafluoroisopropanol Group-Containing Diamine, Polyimide And Polyamide Using Same, Cyclized Product Thereof, And Method For Producing Same CENTRAL GLASS COMPANY, LIMITED (JP) 2014-05-29 US disclosed