SCHEMBL18070538

SCHEMBL18070538

C=C(C)c1cc(C2=CCC(F)C=C2)ccc1C(=O)C(=O)OCC

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MAPT P10636 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
SCHEMBL19862046 0.75 MAPT (0.46) ALDH1A1MAPT
SCHEMBL18070694 0.59 MAPT (0.50) ALDH1A1MAPT
SCHEMBL18069872 0.59 MAPT (0.49) ALDH1A1MAPT
SCHEMBL8226526 0.58 CES2 (0.61) ALDH1A1MAPT
SCHEMBL30628238 0.58 MAPT (0.51) MAPT
SCHEMBL30628241 0.58 MAPT (0.51) MAPT
SCHEMBL17466085 0.58 MEN1 (0.46) MAPT
SCHEMBL1521930 0.58 MAPT (0.51) MAPT
SCHEMBL22685522 0.58 MAPT (0.45) ALDH1A1MAPT
SCHEMBL28455190 0.57 SMN1; SMN2 (0.51) MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016145153-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-09-15 WO disclosed