SCHEMBL15745686

SCHEMBL15745686

Cc1cc(C)c(C(C)(O)C(F)(F)F)cc1-c1cc(C(C)(O)C(F)(F)F)c(N2C(=O)c3ccc(S(=O)(=O)c4ccc5c(c4)C(=O)N(C)C5=O)cc3C2=O)cc1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
HSD11B1 P28845 9/20 0.34
POLB P06746 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ANPEP P15144 1/20 0.31
DPP4 P27487 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL15745688 0.88 ESR1 (0.38) ALDH1A1ESR1ESR2POLBKDM4E
SCHEMBL15745962 0.85 NR1H3 (0.36) ALDH1A1ESR1ESR2CA12CA1
SCHEMBL15745685 0.85 ALDH1A1 (0.37) ALDH1A1ESR1ESR2POLBKDM4E
SCHEMBL15745687 0.85 NR1H3 (0.36) ALDH1A1ESR1ESR2CA12CA1
SCHEMBL15745690 0.85 APEX1 (0.40) ALDH1A1ESR1ESR2POLBKDM4E
SCHEMBL15745679 0.75 ALDH1A1 (0.41) ALDH1A1HSD11B1POLBCNR2KDM4E
SCHEMBL15831667 0.70 NR1H3 (0.36) ALDH1A1ESR1ESR2CA12CA1
SCHEMBL10053399 0.70 ALDH1A1 (0.73) ALDH1A1POLBCA12CA1CA2
SCHEMBL13256767 0.70 ALDH1A1 (0.53) ALDH1A1ESR1ESR2POLBCA12
SCHEMBL15744802 0.70 NR1H3 (0.36) ALDH1A1ESR1ESR2POLBCA12

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