SCHEMBL6662941

SCHEMBL6662941

CCCC1CCC(c2ccc(C(F)(F)OC(C)c3ccc(F)c(F)c3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.39
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
APP P05067 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
TACR1 P25103 4/20 0.32
TRPV3 Q8NET8 1/20 0.32
CCR5 P51681 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
DPP4 P27487 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
ESR2 Q92731 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
SCHEMBL6665832 0.93 MAPT (0.34) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6666433 0.91 ALDH1A1 (0.42) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6667645 0.90 ALDH1A1 (0.46) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6663433 0.90 ALDH1A1 (0.38) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6663135 0.89 PDE2A (0.38) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6661207 0.88 ALDH1A1 (0.36) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6666025 0.88 ALDH1A1 (0.36) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6665308 0.87 CYP2C9 (0.36) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6667610 0.87 ALDH1A1 (0.36) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6663203 0.87 CYP2C9 (0.34) ALDH1A1LMNAMAPTCYP2C9MEN1

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
EP-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed