SCHEMBL17685152

SCHEMBL17685152

CC(C)(C)C1CCc2c(cc(-c3ccc(Cl)c(Cl)c3)n2-c2ccc(OC(=O)O)o2)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
TP53 P04637 4/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 1/20 0.31
BRD4 O60885 1/20 0.30
EGFR P00533 1/20 0.30
THRB P10828 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
SCHEMBL17685170 0.91 SLC6A4 (0.31) SLC6A4SLC6A3TP53MAPT
SCHEMBL17685053 0.88 MAPT (0.42) TP53MAPTLMNATHRB
SCHEMBL3105744 0.86 S1PR1 (0.35) SLC6A4SLC6A3TP53MAPTBRD4
SCHEMBL17685215 0.86 TP53 (0.36) TP53MAPTLMNATHRB
SCHEMBL17685131 0.84
SCHEMBL17685139 0.80 MAPT (0.44) TP53MAPTLMNATHRB
SCHEMBL17685231 0.80 MAPT (0.41) TP53MAPTLMNATHRB
SCHEMBL17685187 0.79 MAPT (0.40) TP53MAPTLMNATHRB
SCHEMBL2988858 0.76 MAPT (0.41) TP53MAPTLMNATHRB
SCHEMBL17685211 0.76 MAPT (0.56) TP53MAPTLMNATHRB

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
EP-2813498-B1 Compounds for Alzheimer's disease MANFREDI JOHN (US) 2016-04-20 EP claimed