SCHEMBL6229257

SCHEMBL6229257

CCN(C(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 9/20 0.54
▸ TSHR P16473 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ HTT P42858 1/20 0.45
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ SERPINE1 P05121 1/20 0.42
▸ NR1H2 P55055 1/20 0.42
▸ NR1H3 Q13133 1/20 0.42
▸ MTOR P42345 1/20 0.42

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
SCHEMBL4044376 0.84 CES2 (0.44) MLYCDCES2CES1SERPINE1MTOR
SCHEMBL4630024 0.83 HSD11B1 (0.56) MLYCDTSHRHTTNR1H2NR1H3
SCHEMBL3418705 0.83 MLYCD (0.50) MLYCDTSHRALDH1A1GLAHTT
SCHEMBL7670109 0.82 PTPN1 (0.49) MLYCDCES2CES1SERPINE1MTOR
SCHEMBL24795106 0.81 MLYCD (0.49) MLYCDTSHRALDH1A1GLAHTT
SCHEMBL250966 0.79 MLYCD (0.58) MLYCDTSHRALDH1A1GLACES1
SCHEMBL27627640 0.78 MLYCD (0.39) MLYCDTSHRHTT
SCHEMBL11396009 0.78 MAPK14 (0.47) ALDH1A1SERPINE1
SCHEMBL5702149 0.77 ALDH1A1 (0.53) TSHRALDH1A1GLAHTT
SCHEMBL27858074 0.77 ALDH1A1 (0.53) MLYCDTSHRALDH1A1GLAHTT

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-1590321-A2 ARYL ALKYL CARBAMATE DERIVATIVES PRODUCTION AND USE THEREOF IN THERAPY Sanofi-Aventis (FR) 2005-11-02 — — EP disclosed
WO-2004067498-A2 ARYL ALKYL CARBAMATE DERIVATIVES PRODUCTION AND USE THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2004-08-12 — — WO disclosed
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