SCHEMBL13823861

SCHEMBL13823861

CC(C)OC(=O)CCc1ccc(N(c2ccc(CCC(=O)OC(C)C)cc2)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.51
▸ FFAR1 O14842 3/20 0.50
▸ MGLL Q99685 2/20 0.49
▸ TSHR P16473 1/20 0.48
▸ PDCD1 Q15116 1/20 0.47
▸ CD274 Q9NZQ7 1/20 0.47
▸ MMP12 P39900 3/20 0.46
▸ FAAH O00519 2/20 0.44
▸ GPR88 Q9GZN0 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NAAA Q02083 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL6308932 0.85 FFAR1 (0.54) FFAR1MMP12GPR88TDP1NAAA
SCHEMBL14732623 0.85 FFAR1 (0.54) FFAR1MMP12GPR88TDP1NAAA
SCHEMBL14340330 0.85 FFAR1 (0.54) FFAR1MMP12GPR88TDP1NAAA
SCHEMBL13943204 0.85 FFAR1 (0.54) FFAR1MMP12GPR88TDP1NAAA
SCHEMBL14733317 0.83 FFAR1 (0.53) FFAR1MMP12GPR88TDP1FFAR4
SCHEMBL11887471 0.83 FFAR1 (0.53) FFAR1MMP12GPR88TDP1NAAA
SCHEMBL23512481 0.83 CYP4F2 (0.47) MAPTFFAR1MGLLTSHRPDCD1
SCHEMBL3183513 0.82 TSHR (0.68) MAPTFFAR1TSHRFAAHTDP1
SCHEMBL7269119 0.82 FFAR1 (0.50) FFAR1MMP12GPR88TDP1FFAR4
SCHEMBL27540219 0.81 TSHR (0.66) MAPTFFAR1TSHRFAAHTDP1

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-7541483-B2 Process for arylamine production XEROX CORPORATION (US) 2009-06-02 — — US disclosed
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