SCHEMBL18399458

SCHEMBL18399458

CC(O)(c1cc(C(=O)c2ccc(O)cc2)ccc1O)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.55
SIRT1 Q96EB6 1/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
ABCC9 O60706 4/20 0.44
ABCC8 Q09428 4/20 0.44
KCNJ11 Q14654 4/20 0.44
KCNJ8 Q15842 4/20 0.44
NR1I2 O75469 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
MIF P14174 1/20 0.43
TYR P14679 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL18399446 0.94 HSP90AA1 (0.60) HSP90AA1SIRT1HTTLMNAABCC9
SCHEMBL18400610 0.84 HTT (0.48) HSP90AA1SIRT1HTTSMN1; SMN2LMNA
SCHEMBL18399441 0.78 NR1I2 (0.48) HSP90AA1HTTLMNAESR1ESR2
SCHEMBL18400613 0.77 HSP90AA1 (0.43) HSP90AA1SIRT1SMN1; SMN2ABCC9ABCC8
SCHEMBL10002090 0.76 SMN1; SMN2 (0.44) HSP90AA1HTTSMN1; SMN2LMNAMAPT
SCHEMBL18399461 0.75 ESR1 (0.52) HSP90AA1HTTLMNAESR1ESR2
SCHEMBL18399442 0.75 ESR1 (0.52) HSP90AA1HTTLMNAESR1ESR2
SCHEMBL10002086 0.75 PDK1 (0.40) HSP90AA1HTTSMN1; SMN2LMNAMAPT
SCHEMBL18399448 0.75 HSD11B1 (0.50) HSP90AA1HTTLMNAPKMABCC9
SCHEMBL18399451 0.74 ESR1 (0.56) HSP90AA1HTTLMNAESR1ESR2

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-20170088666-A1 Fluorine-Containing Polymerizable Monomer and Polymer Compound Using Same CENTRAL GLASS COMPANY, LIMITED (JP) 2017-03-30 US disclosed
US-9550711-B2 Fluorine-containing polymerizable monomer and polymer compound using same CENTRAL GLASS COMPANY, LIMITED (JP) 2017-01-24 US disclosed