SCHEMBL22277322

SCHEMBL22277322

C/C=C/CCc1ccc(-c2ccc(C3CCC(C(=O)Oc4ccc(OC)c(F)c4F)CC3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.35
GRK6 P43250 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PDE4B Q07343 3/20 0.34
PDE4A P27815 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
HPGD P15428 3/20 0.33
F2 P00734 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
GPR52 Q9Y2T5 1/20 0.32
FFAR1 O14842 1/20 0.31
CSF1R P07333 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
SCHEMBL22277622 0.86 HPGD (0.37) FFAR4HPGDF2ALDH1A1KMT2A
SCHEMBL22277662 0.81 HPGD (0.38) FFAR4NPC1RAB9AHPGD
SCHEMBL22277320 0.79 HPGD (0.38) FFAR4NPC1RAB9AHPGDMEN1
SCHEMBL15723223 0.79 SPHK1 (0.41)
SCHEMBL22277328 0.77 HPGD (0.39) HPGDMEN1ALDH1A1KMT2A
SCHEMBL22277664 0.77 SPHK1 (0.45)
SCHEMBL15723220 0.75 HPGD (0.34) FFAR4HPGDF2POLB
SCHEMBL22277665 0.75 HPGD (0.38) FFAR4HPGDF2POLBALDH1A1
SCHEMBL15726844 0.75 RAB9A (0.37) NPC1RAB9APDE4BPDE4APDE4C
SCHEMBL22277307 0.75 FFAR4 (0.36) FFAR4

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