SCHEMBL22277665

SCHEMBL22277665

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.38
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
CCR5 P51681 2/20 0.32
FFAR4 Q5NUL3 3/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
ACACB O00763 1/20 0.31
ALDH1A1 P00352 2/20 0.30
F2 P00734 1/20 0.30
POLB P06746 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
SCHEMBL22277662 0.94 HPGD (0.38) HPGDLMNAALOX15FFAR4SMN1; SMN2
SCHEMBL22277622 0.90 HPGD (0.37) HPGDLMNAALOX15CCR5FFAR4
SCHEMBL22277608 0.89 HPGD (0.38) HPGDLMNAALOX15CCR5FFAR4
SCHEMBL22277313 0.87 HPGD (0.39) HPGDLMNAALOX15CCR5CYP3A4
SCHEMBL22277702 0.85 HPGD (0.39) HPGDLMNAALOX15SMN1; SMN2KMT2A
SCHEMBL22277320 0.83 HPGD (0.38) HPGDLMNAALOX15FFAR4SMN1; SMN2
SCHEMBL22277637 0.82 HPGD (0.41) HPGDLMNAALOX15SMN1; SMN2KMT2A
SCHEMBL22277664 0.80 SPHK1 (0.45)
SCHEMBL7745428 0.80 ALDH1A1 (0.38) HPGDFFAR4SMN1; SMN2ACACBALDH1A1
SCHEMBL7745424 0.80 ALDH1A1 (0.38) HPGDFFAR4SMN1; SMN2ACACBALDH1A1

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