SCHEMBL22277622

SCHEMBL22277622

C/C=C/CCc1ccc(C2CCC(C3CCC(C(=O)Oc4ccc(OCC)c(F)c4F)CC3)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.37
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
FFAR4 Q5NUL3 4/20 0.32
F2 P00734 1/20 0.32
CCR5 P51681 2/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 1/20 0.31
GLA P06280 1/20 0.31
SPHK1 Q9NYA1 1/20 0.30
GAA P10253 1/20 0.30
ACACB O00763 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL22277665 0.90 HPGD (0.38) HPGDLMNAALOX15FFAR4F2
SCHEMBL22277608 0.88 HPGD (0.38) HPGDLMNAALOX15FFAR4CCR5
SCHEMBL22277328 0.86 HPGD (0.39) HPGDLMNAALOX15SMN1; SMN2KMT2A
SCHEMBL22277313 0.86 HPGD (0.39) HPGDLMNAALOX15CCR5CYP3A4
SCHEMBL22277322 0.86 FFAR4 (0.35) HPGDFFAR4F2KMT2AALDH1A1
SCHEMBL22277662 0.84 HPGD (0.38) HPGDLMNAALOX15FFAR4SMN1; SMN2
SCHEMBL22277320 0.82 HPGD (0.38) HPGDLMNAALOX15FFAR4SMN1; SMN2
SCHEMBL15723220 0.82 HPGD (0.34) HPGDFFAR4F2SPHK1
SCHEMBL17017051 0.81 HPGD (0.44) HPGDLMNAALOX15SMN1; SMN2GLA
SCHEMBL12197152 0.81 HPGD (0.36) HPGD

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