SCHEMBL28207267

SCHEMBL28207267

CCCCCCOc1ccccc1-c1ccccc1.N#CC#N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.58
ADRB2 P07550 2/20 0.54
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTR7 P34969 1/20 0.53
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 2/20 0.51
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
GAA P10253 1/20 0.50
PTPN11 Q06124 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
NR1I2 O75469 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49

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
SCHEMBL27786320 1.00 KDM4E (0.58) KDM4EADRB2ALDH1A1SMN1; SMN2HTR7
SCHEMBL28857495 0.94 KDM4E (0.60) KDM4EADRB2ALDH1A1SMN1; SMN2HTR7
SCHEMBL13739869 0.92 ADRB2 (0.61) KDM4EADRB2ALDH1A1SMN1; SMN2HTR7
SCHEMBL9715200 0.92 ADRB2 (0.61) KDM4EADRB2ALDH1A1SMN1; SMN2HTR7
SCHEMBL27630456 0.92 ADRB2 (0.61) KDM4EADRB2ALDH1A1SMN1; SMN2HTR7
SCHEMBL5969665 0.92 ADRB2 (0.61) KDM4EADRB2ALDH1A1SMN1; SMN2HTR7
SCHEMBL10434829 0.92 ADRB2 (0.61) KDM4EADRB2ALDH1A1SMN1; SMN2HTR7
SCHEMBL13739675 0.92 ADRB2 (0.61) KDM4EADRB2ALDH1A1SMN1; SMN2HTR7
SCHEMBL3826240 0.92 ADRB2 (0.61) KDM4EADRB2ALDH1A1SMN1; SMN2HTR7
SCHEMBL13739368 0.92 ADRB2 (0.61) KDM4EADRB2ALDH1A1SMN1; SMN2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107842706-A A kind of break-in method of coefficient of friction between reduction metallic rubbing pairs 齐鲁工业大学 2018-03-27 CN claimed
CN-107842706-A A kind of break-in method of coefficient of friction between reduction metallic rubbing pairs 齐鲁工业大学 2018-03-27 CN disclosed