SCHEMBL10640153

SCHEMBL10640153

CCc1ccc(CC)c(OCCCC(C)(C)C(=O)Nc2ccc(/C=C/C(=O)O)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ PPARA Q07869 6/20 0.39
▸ POLB P06746 1/20 0.39
▸ AKR1C3 P42330 2/20 0.38
▸ ACHE P22303 2/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SELP P16109 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL10640155 1.00 KDM4E (0.40) KDM4ES1PR1S1PR3KMT2AGAA
SCHEMBL10638480 0.80 PPARA (0.60) KDM4EKMT2APPARAPOLBMEN1
SCHEMBL10638439 0.80 KDM4E (0.47) KDM4EPPARAACHETDP1HDAC1
SCHEMBL10638443 0.80 KDM4E (0.47) KDM4EPPARAACHETDP1HDAC1
SCHEMBL10638488 0.80 PPARA (0.60) KDM4EKMT2APPARAPOLBMEN1
SCHEMBL10635838 0.79 PPARA (0.42) KDM4ES1PR1S1PR3KMT2AGAA
SCHEMBL10635845 0.79 PPARA (0.42) KDM4ES1PR1S1PR3KMT2AGAA
SCHEMBL10641719 0.79 PPARA (0.41) KDM4ES1PR1KMT2APPARAMEN1
SCHEMBL10641494 0.79 PPARA (0.59) S1PR1S1PR3PPARAFFAR1HDAC3
SCHEMBL10641499 0.79 PPARA (0.59) S1PR1S1PR3PPARAFFAR1HDAC3

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-0134337-B1 SUBSTITUTED 2,2-DIMETHYL-5-PHENOXYPENTANOIC ACID BENZAMIDES AND THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1988-01-07 — — EP claimed
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