SCHEMBL22277487

SCHEMBL22277487

C=CC1CCC(c2ccc(COc3ccc(-c4ccc(OCC)c(F)c4F)cc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.40
MRGPRX4 Q96LA9 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
GYS1 P13807 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GABRA1 P14867 3/20 0.32
GABRB2 P47870 3/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
PTGES O14684 1/20 0.32
KCNH2 Q12809 1/20 0.31
MAOB P27338 1/20 0.31
CSF1R P07333 1/20 0.31
GSTP1 P09211 1/20 0.31

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
SCHEMBL22277212 0.93 FFAR4 (0.41) FFAR4MRGPRX4HRH3RAB9AGABRA1
SCHEMBL15681400 0.91 KDM1A (0.35) FFAR4GABRA1GABRB2
SCHEMBL22277430 0.90 FFAR4 (0.37) FFAR4GABRA1GABRB2
SCHEMBL22269483 0.90 KDM1A (0.34) FFAR4GABRA1GABRB2
SCHEMBL22277562 0.89 FFAR4 (0.38) FFAR4MRGPRX4HRH3GYS1KDM4E
SCHEMBL22277640 0.88 MAPT (0.36) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL22277485 0.88 KDM1A (0.38) FFAR4KDM4ENPC1ALDH1A1MAPT
SCHEMBL16071781 0.88 FFAR4 (0.43) FFAR4MRGPRX4HRH3KDM4ENPC1
SCHEMBL22277436 0.87 KDM1A (0.33) FFAR4GABRA1GABRB2
SCHEMBL12760157 0.87 FFAR4 (0.33) FFAR4GYS1KDM4ENPC1ALDH1A1

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-20200239775-A1 TETRACYCLIC LIQUID CRYSTAL COMPOUND HAVING DIATOMIC BONDING GROUP AND 2,3-DIFLUOROPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-07-30 US disclosed