SCHEMBL1401045

SCHEMBL1401045

CCCCCCC(=O)N(C)Cc1cc(-c2sc(CC(C(=O)O)c3ccccc3)cc2CCC)cs1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.34
BCHE P06276 6/20 0.34
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ASAH1 Q13510 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ACER2 Q5QJU3 1/20 0.32
KMT2A Q03164 1/20 0.32
FAAH O00519 2/20 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
SCHEMBL1400890 0.83 EPHX2 (0.36) RAB9AMAPTSMN1; SMN2
SCHEMBL68438 0.81 ESR1 (0.35) ACHEBCHERAB9AMAPTSMN1; SMN2
SCHEMBL68783 0.71 AOC3 (0.41) ACHEBCHERAB9AKMT2A
SCHEMBL67519 0.71 EPHX2 (0.42) ALDH1A1KMT2A
SCHEMBL1749744 0.70 ITGB3 (0.39) FAAH
SCHEMBL1749745 0.70 ITGB3 (0.39) FAAH
SCHEMBL68003 0.69 EPHX2 (0.33) ACHEBCHERAB9AMAPTSMN1; SMN2
SCHEMBL68004 0.69 EPHX2 (0.33) ACHEBCHERAB9AMAPTSMN1; SMN2
SCHEMBL1401230 0.69 ACHE (0.37) ACHEBCHERAB9AMAPTSMN1; SMN2
SCHEMBL68745 0.69 FFAR1 (0.42) MAPTALDH1A1KMT2A

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-1814871-B1 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-03-02 EP claimed