SCHEMBL9851279

SCHEMBL9851279

CCCCCCOc1cccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
SOAT1 P35610 1/20 0.49
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
PTPN11 Q06124 2/20 0.48
PTPN1 P18031 1/20 0.48
ADRB2 P07550 1/20 0.48
MEN1 O00255 1/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
MAPT P10636 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HTR7 P34969 1/20 0.46

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
SCHEMBL897973 0.98 KDM4E (0.50) KDM4ESOAT1THRATHRBPTPN11
SCHEMBL16180436 0.94 KDM4E (0.51) KDM4EPTPN1ADRB2MEN1LMNA
SCHEMBL5969665 0.87 ADRB2 (0.61) KDM4ESOAT1THRATHRBPTPN11
SCHEMBL9715200 0.87 ADRB2 (0.61) KDM4ESOAT1THRATHRBPTPN11
SCHEMBL13739869 0.87 ADRB2 (0.61) KDM4ESOAT1THRATHRBPTPN11
SCHEMBL3826240 0.87 ADRB2 (0.61) KDM4ESOAT1THRATHRBPTPN11
SCHEMBL13739675 0.87 ADRB2 (0.61) KDM4ESOAT1THRATHRBPTPN11
SCHEMBL10434829 0.87 ADRB2 (0.61) KDM4ESOAT1THRATHRBPTPN11
SCHEMBL27630456 0.87 ADRB2 (0.61) KDM4ESOAT1THRATHRBPTPN11
SCHEMBL13739368 0.87 ADRB2 (0.61) KDM4ESOAT1THRATHRBPTPN11

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-0427166-A1 Ester compounds and liquid crystal compositions containing the same JAPAN ENERGY CORPORATION (JP) 1991-05-15 EP disclosed