SCHEMBL8545574

SCHEMBL8545574

C[C@H](Cl)C(=O)Oc1ccc(-c2ccc(OC(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.33
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32
KIF11 P52732 1/20 0.31
ELANE P08246 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
SCHEMBL8540084 0.92 PTPN5 (0.33) PTPN5CYP1A2GAACYP2C9PKM
SCHEMBL8547043 0.91 PTPN5 (0.34) PTPN5CYP1A2GAACYP2C9PKM
SCHEMBL8541990 0.90 MAPT (0.33)
SCHEMBL8546579 0.88
SCHEMBL8545223 0.85 HDAC3 (0.33)
SCHEMBL8544729 0.81
SCHEMBL7557753 0.81 KIF11 (0.33) PTPN5KIF11
SCHEMBL8545560 0.80 CTRC (0.31)
SCHEMBL8546599 0.80 CTRC (0.31)
SCHEMBL8545570 0.80 DGAT1 (0.34) KIF11ELANE

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
EP-0736078-B1 CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION MINNESOTA MINING & MFG (US) 1998-06-24 EP disclosed
US-5474705-A Electrooptical displays MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-12-12 US disclosed