SCHEMBL8903552

SCHEMBL8903552

CCCCCCCCOc1cccc(/C=C/c2cccc(OCCCCCCCC)c2F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.44
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.41
NFE2L2 Q16236 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL8903560 1.00 MCHR1 (0.44) MCHR1MEN1NR1I2LMNACHRM2
SCHEMBL6226322 0.92 L3MBTL1 (0.40) MCHR1MEN1NR1I2LMNACHRM2
SCHEMBL6226319 0.92 L3MBTL1 (0.40) MCHR1MEN1NR1I2LMNACHRM2
SCHEMBL8767442 0.88 ALDH1A1 (0.50) MCHR1MEN1NR1I2LMNACHRM2
SCHEMBL7781687 0.81 L3MBTL1 (0.54) MCHR1MEN1NR1I2LMNACHRM2
SCHEMBL8746459 0.81 L3MBTL1 (0.54) MCHR1MEN1NR1I2LMNACHRM2
SCHEMBL4826935 0.81 L3MBTL1 (0.54) MCHR1MEN1NR1I2LMNACHRM2
SCHEMBL8746453 0.81 L3MBTL1 (0.54) MCHR1MEN1NR1I2LMNACHRM2
SCHEMBL8234319 0.81 L3MBTL1 (0.54) MCHR1MEN1NR1I2LMNACHRM2
SCHEMBL2511831 0.81 L3MBTL1 (0.54) MCHR1MEN1NR1I2LMNACHRM2

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