SCHEMBL6663433

SCHEMBL6663433

CCCc1ccc(C(C)OC(F)(F)c2ccc(C3CCC(CCC)CC3)cc2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.37
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPV1 Q8NER1 3/20 0.33
TACR1 P25103 1/20 0.32
APP P05067 1/20 0.32

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
SCHEMBL6667610 0.93 ALDH1A1 (0.36) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6662825 0.93 SPHK1 (0.32) ALDH1A1LMNAMAPTCYP2C9TRPV1
SCHEMBL6662941 0.90 ALDH1A1 (0.40) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6664078 0.89 TRPV1 (0.35) ALDH1A1LMNAMAPTCYP2C9TRPV1
SCHEMBL6666433 0.87 ALDH1A1 (0.42) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6667645 0.86 ALDH1A1 (0.46) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6663135 0.85 PDE2A (0.38) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6666025 0.84 ALDH1A1 (0.36) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6661207 0.84 ALDH1A1 (0.36) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6662870 0.84 ALDH1A1 (0.41) 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