SCHEMBL22277608

SCHEMBL22277608

CCCc1ccc(C2CCC(C3CCC(C(=O)Oc4ccc(OCC)c(F)c4F)CC3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.38
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
SPHK1 Q9NYA1 2/20 0.34
PDE5A O76074 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP2 O75604 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
CYP3A4 P08684 1/20 0.34
CCR5 P51681 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL22277320 0.94 HPGD (0.38) HPGDLMNAALOX15SPHK1PDE5A
SCHEMBL22277313 0.91 HPGD (0.39) HPGDLMNAALOX15SMN1; SMN2CYP3A4
SCHEMBL22277665 0.89 HPGD (0.38) HPGDLMNAALOX15SMN1; SMN2FFAR4
SCHEMBL22277622 0.88 HPGD (0.37) HPGDLMNAALOX15SPHK1SMN1; SMN2
SCHEMBL15723220 0.87 HPGD (0.34) HPGDSPHK1FFAR4SLC6A3
SCHEMBL22277664 0.87 SPHK1 (0.45) SPHK1
SCHEMBL10416710 0.83 AOC3 (0.36) LMNAALOX15SPHK1FFAR4SLC6A3
SCHEMBL10416709 0.83 AOC3 (0.36) LMNAALOX15SPHK1FFAR4SLC6A3
SCHEMBL22277662 0.83 HPGD (0.38) HPGDLMNAALOX15SMN1; SMN2FFAR4
SCHEMBL9925050 0.83 F2 (0.35) USP2FFAR4MEN1KMT2ASLC6A3

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