SCHEMBL6668563

SCHEMBL6668563

C=CCCC1CCC(c2ccc(C(F)(F)OC(C)c3ccc(C4CCC(CCCCCCC)CC4)cc3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SPHK1 Q9NYA1 3/20 0.32
LSS P48449 2/20 0.32
CYP2C9 P11712 1/20 0.32
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR2 P34972 6/20 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
SCHEMBL6662038 0.99 ALDH1A1 (0.33) MAPTALDH1A1LMNASPHK1LSS
SCHEMBL6667558 0.92 MAPT (0.33) MAPTALDH1A1LMNASPHK1LSS
SCHEMBL6665616 0.92 MAPT (0.33) MAPTALDH1A1LMNASPHK1LSS
SCHEMBL6665115 0.92 ALDH1A1 (0.40) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL6665868 0.92 ACACB (0.33) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL6666319 0.91 ALDH1A1 (0.33) MAPTALDH1A1LMNASPHK1LSS
SCHEMBL6660738 0.91 MAPT (0.38) MAPTALDH1A1LMNASPHK1CYP2C9
SCHEMBL6665432 0.90 ALDH1A1 (0.33) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL6668544 0.89 MAPT (0.32) MAPTALDH1A1LMNASPHK1CYP2C9
SCHEMBL6667704 0.89 HTR2C (0.36) MAPTALDH1A1LMNALSS

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