SCHEMBL6667544

SCHEMBL6667544

C/C=C/CCC1CCC(c2ccc(C(F)(F)OC(C)c3ccc(C4CCC(CCCCC)CC4)cc3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SPHK1 Q9NYA1 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
SCHEMBL6668544 0.99 MAPT (0.32) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6667623 0.93 ALDH1A1 (0.39) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6666597 0.93 ALDH1A1 (0.32) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6665825 0.91 ALDH1A1 (0.32) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6660738 0.91 MAPT (0.38) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6663501 0.90 HTR2C (0.36) ALDH1A1LMNAMAPT
SCHEMBL6662038 0.89 ALDH1A1 (0.33) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6661316 0.89 ESR2 (0.32) ALDH1A1LMNAMAPT
SCHEMBL6661882 0.89 MAPT (0.42) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6667373 0.89 MAPT (0.42) 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