SCHEMBL9801326

SCHEMBL9801326

C=C(CCc1ccc(Cl)cc1)C(C)(C)CCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
FFAR1 O14842 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL9801518 0.82 KMT2A (0.53) KMT2AMEN1TDP1PLAAT3PLAAT5
SCHEMBL9005806 0.80 PLAAT3 (0.45) KMT2AMEN1PLAAT3PLAAT5PLAAT2
SCHEMBL21268449 0.76 SLC6A4 (0.48) KMT2AMEN1TDP1PLAAT3PLAAT5
SCHEMBL24242009 0.75 PLAAT3 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL10422798 0.75 LMNA (0.43) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL12696324 0.70 TAAR1 (0.48) KMT2AMEN1PLAAT3PLAAT5PLAAT2
SCHEMBL12696313 0.69 PLAAT3 (0.45) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL9801316 0.69 MEN1 (0.45) KMT2AMEN1TDP1ALDH1A1SLC6A2
SCHEMBL91196 0.69 KDM4E (0.62) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL11462574 0.69 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1KDM4EPOLB

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