SCHEMBL20052268

SCHEMBL20052268

CC(C)(C)Cc1cc(CCS)ccc1CCO

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX5 P09917 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
BACE1 P56817 1/20 0.34
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
PPARA Q07869 1/20 0.30
BCHE P06276 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
SCHEMBL20052258 0.90 BACE1 (0.42) ESR1KDM4EALDH1A1ALOX5GAA
SCHEMBL20052222 0.83 BACE1 (0.42) ESR1KDM4EALDH1A1ALOX5GAA
SCHEMBL13671875 0.76 KDM4E (0.38) ESR1KDM4EALDH1A1ALOX5GAA
SCHEMBL63352 0.72 BACE1 (0.54) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL64008 0.72 FOLH1 (0.33) BACE1
SCHEMBL29362192 0.72 FOLH1 (0.33) BACE1
SCHEMBL20052124 0.70 ESR1 (0.41) ESR1KDM4EALDH1A1ALOX5GAA
SCHEMBL20052233 0.70 PPARA (0.39) ESR1KDM4EALDH1A1ALOX5GAA
SCHEMBL12235091 0.68 CA2 (0.59) ESR1KDM4EALDH1A1ALOX5GAA
SCHEMBL13761460 0.67 TRPA1 (0.45) KDM4EALDH1A1ALOX5GAAMAPT

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
US-9943603-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2018-04-17 US disclosed