SCHEMBL9801518

SCHEMBL9801518

CCCC(C)(C)C(=O)CCc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
PLAAT3 P53816 3/20 0.49
PLAAT5 Q96KN8 3/20 0.49
PLAAT2 Q9NWW9 3/20 0.49
PLAAT4 Q9UL19 3/20 0.49
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
FFAR1 O14842 1/20 0.44
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 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
SCHEMBL9801326 0.82 KMT2A (0.46) KMT2AMEN1TDP1PLAAT3PLAAT5
SCHEMBL454778 0.81 PLAAT3 (0.51) KMT2AMEN1PLAAT3PLAAT5PLAAT2
SCHEMBL10423547 0.75 CYP3A4 (0.47) KMT2AMEN1PLAAT3PLAAT5PLAAT2
SCHEMBL11076794 0.74 PLAAT3 (0.45) KMT2AMEN1PLAAT3PLAAT5PLAAT2
SCHEMBL12040762 0.74 HPGD (0.51) KMT2AMEN1TDP1ALDH1A1KDM4E
SCHEMBL10454536 0.74 IAPP (0.59) KMT2AMEN1PLAAT3PLAAT5PLAAT2
SCHEMBL2223565 0.73 PPARA (0.49) KMT2AMEN1TDP1PLAAT3PLAAT5
SCHEMBL11569485 0.73 ALDH1A1 (0.44) KMT2AMEN1TDP1PLAAT3PLAAT5
SCHEMBL3839694 0.72 IAPP (0.58) KMT2AMEN1PLAAT3PLAAT5PLAAT2
SCHEMBL2125187 0.71 HDAC3 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4999440-A Phenylethyloxirane Intermediates BAYER AKTIENGESELLSCHAFT (DE) 1991-03-12 US disclosed
EP-0291795-B1 HYDROXYALKYL TRIAZOLYL DERIVATIVES BAYER AG (DE) 1990-12-05 EP disclosed
US-4894383-A Fungicidal hydroxyalkyl-triazolyl derivatives BAYER AKTIENGESELLSCHAFT (DE) 1990-01-16 US disclosed
EP-0291795-A2 Hydroxyalkyl triazolyl derivatives BAYER AG (DE) 1988-11-23 EP disclosed