SCHEMBL10948779

SCHEMBL10948779

CCCCCCC(C)(C)C(=O)OC1=C(c2ccc(Cl)cc2)C(=O)CC(C)(C)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ELANE P08246 2/20 0.34
▸ ALPL P05186 1/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ EHMT2 Q96KQ7 1/20 0.32
▸ WRN Q14191 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ LTB4R Q15722 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ PSEN1 P49768 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
SCHEMBL10948993 0.91 CNR2 (0.34) KMT2AMAPTHPGDELANENPSR1
SCHEMBL10950107 0.81 CNR2 (0.38) LMNAMAPTELANENPSR1TP53
SCHEMBL10948933 0.72 KMT2A (0.37) LMNAKMT2AHPGDELANENPSR1
SCHEMBL10942813 0.72 KMT2A (0.40) LMNAKMT2ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL10951881 0.70 KMT2A (0.40) LMNAKMT2ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL10944971 0.69 HPGD (0.38) KMT2AHPGDELANENPSR1ALDH1A1
SCHEMBL10731415 0.68 HPGD (0.39) KMT2AMAPTHPGDNPSR1ALDH1A1
SCHEMBL10950430 0.68 GAA (0.41) NPSR1GAA
SCHEMBL10950452 0.67 WRN (0.39) LMNAKMT2ANPSR1WRNALDH1A1
SCHEMBL10947368 0.67 MEN1 (0.35) LMNAKMT2AMAPTELANENPSR1

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-4526723-A Microbiocides UNION CARBIDE CORPORATION (US) 1985-07-02 — — US disclosed
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