SCHEMBL8530563

SCHEMBL8530563

C=CCCCC[C@H]1CC[C@H](C2CCC(c3ccc(C)cc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.38
CYP2C9 P11712 3/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SGPL1 O95470 1/20 0.34
S1PR1 P21453 1/20 0.34
ESR1 P03372 5/20 0.33
CYP3A4 P08684 2/20 0.33
SLC18A3 Q16572 1/20 0.31
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP2D6 P10635 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
SCHEMBL8530566 1.00 ESR2 (0.38) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8530569 1.00 ESR2 (0.38) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9482374 0.90 ESR2 (0.41) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9482361 0.90 ESR2 (0.41) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8034566 0.90 ESR2 (0.41) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6141684 0.83 FFAR1 (0.37) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL10760223 0.82 CYP2C9 (0.46) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL10760219 0.82 CYP2C9 (0.46) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL10760215 0.82 CYP2C9 (0.46) ESR2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9252142 0.82 ESR2 (0.39) ESR2CYP2C9ALDH1A1LMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733610-B1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device CHISSO CORP (JP) 1998-10-28 EP disclosed
EP-0733610-A1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device Chisso Corporation (JP) 1996-09-25 EP disclosed