SCHEMBL8903015

SCHEMBL8903015

CCCCCCCCOc1cccc(CO)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
MCHR1 Q99705 2/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
PTPN1 P18031 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PSEN1 P49768 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
SCHEMBL13016543 0.94 CYP1A2 (0.46) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL16952926 0.89 MCHR1 (0.40) MAPTMCHR1CNR1CNR2L3MBTL1
SCHEMBL8903543 0.84 MCHR1 (0.43) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL4826935 0.83 L3MBTL1 (0.54) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL8234319 0.83 L3MBTL1 (0.54) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL10383341 0.83 MAPT (0.55) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL10427831 0.83 MAPT (0.55) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL13443129 0.83 MAPT (0.55) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL10430491 0.83 MAPT (0.55) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL7781687 0.83 L3MBTL1 (0.54) MEN1NR1I2LMNACHRM2CYP3A4

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
US-5648021-A Phenanthrene derivatives and their use in liquid-crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1997-07-15 US disclosed