SCHEMBL9514231

SCHEMBL9514231

CCCCCCCCCCCCCCC(=O)CC(C)(CC)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HAO1 Q9UJM8 1/20 0.47
▸ GPR84 Q9NQS5 7/20 0.47
▸ PPARG P37231 7/20 0.47
▸ PPARD Q03181 7/20 0.47
▸ PPARA Q07869 7/20 0.47
▸ HDAC11 Q96DB2 5/20 0.47
▸ TSHR P16473 4/20 0.47
▸ PTPN1 P18031 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TLR2 O60603 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ FABP4 P15090 2/20 0.47
▸ SLC22A6 Q4U2R8 1/20 0.47
▸ SLC22A8 Q8TCC7 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ PDE4A P27815 1/20 0.47

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
SCHEMBL8061623 0.85 KMT2A (0.47) KMT2AMAPTHAO1GPR84PPARG
SCHEMBL22033718 0.81 KMT2A (0.55) KMT2AMAPTHAO1GPR84PPARG
SCHEMBL7108518 0.81 KMT2A (0.43) KMT2AMAPTHAO1GPR84TSHR
SCHEMBL17546722 0.80 KMT2A (0.42) KMT2AMAPTHAO1GPR84PPARG
SCHEMBL8096569 0.79 KMT2A (0.52) KMT2AMAPTHAO1GPR84PPARG
SCHEMBL8897068 0.79 KMT2A (0.52) KMT2AMAPTHAO1GPR84PPARG
SCHEMBL9177158 0.79 KMT2A (0.52) KMT2AMAPTHAO1GPR84PPARG
SCHEMBL4451253 0.78 KMT2A (0.56) KMT2AMAPTHAO1GPR84PPARG
SCHEMBL19617979 0.78 KMT2A (0.56) KMT2AMAPTHAO1GPR84PPARG
SCHEMBL8897012 0.78 KMT2A (0.56) KMT2AMAPTHAO1GPR84PPARG

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-0384458-B1 Process for the separation of diacetyl-containing mixtures of methyl ethyl ketone, ethyl acetate, ethanol, water and optionally toluol and n-hexane WIPF AG VERPACKUNGEN (CH) 1993-12-22 — — EP claimed
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