SCHEMBL22277702

SCHEMBL22277702

C=CCCC1CCC(c2ccc(C3CCC(C(=O)Oc4ccc(OCC)c(F)c4F)CC3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.39
CYP2C9 P11712 1/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GLA P06280 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR2 Q92731 2/20 0.32
DGAT1 O75907 2/20 0.31
SOAT1 P35610 1/20 0.31
KDM1A O60341 2/20 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
SCHEMBL22277637 0.91 HPGD (0.41) HPGDLMNAMAPTALOX15SMN1; SMN2
SCHEMBL22277328 0.90 HPGD (0.39) HPGDCYP2C9LMNAALDH1A1MAPT
SCHEMBL10020059 0.85 HPGD (0.39) HPGDLMNAALOX15SMN1; SMN2GLA
SCHEMBL22277662 0.85 HPGD (0.38) HPGDLMNAALOX15SMN1; SMN2GLA
SCHEMBL22277665 0.85 HPGD (0.38) HPGDLMNAALDH1A1ALOX15SMN1; SMN2
SCHEMBL10020041 0.84 HPGD (0.39) HPGDSMN1; SMN2GLAMEN1KMT2A
SCHEMBL22277675 0.84 KDM1A (0.34) CYP2C9LMNAALDH1A1MAPTMEN1
SCHEMBL7907306 0.81 HPGD (0.44) HPGDCYP2C9LMNAALDH1A1MAPT
SCHEMBL7907302 0.81 HPGD (0.44) HPGDCYP2C9LMNAALDH1A1MAPT
SCHEMBL19985394 0.81 ESR2 (0.34) CYP2C9LMNAALDH1A1MAPTMEN1

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