SCHEMBL6663968

SCHEMBL6663968

C=CC1CCC(c2ccc(C(F)(F)OC(C)c3ccc(C4CCC(CC)CC4)cc3)cc2)CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TRPV3 Q8NET8 1/20 0.30
CYP2C9 P11712 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
SCHEMBL6663061 0.93 ALDH1A1 (0.40) ACACBALDH1A1LMNAMAPTCYP2C9
SCHEMBL6666728 0.92 HTR2C (0.33)
SCHEMBL6666693 0.91 ALDH1A1 (0.36) ACACBALDH1A1LMNAMAPTTRPV3
SCHEMBL6667315 0.91 ALDH1A1 (0.34) ACACBALDH1A1LMNAMAPTCYP2C9
SCHEMBL6662956 0.90 ACACB (0.31) ACACBALDH1A1LMNAMAPT
SCHEMBL6664066 0.90 ACACB (0.31) ACACBALDH1A1LMNAMAPT
SCHEMBL6665432 0.90 ALDH1A1 (0.33) ACACBALDH1A1LMNAMAPTCYP2C9
SCHEMBL6666319 0.90 ALDH1A1 (0.33) ACACBALDH1A1LMNAMAPTCYP2C9
SCHEMBL6665616 0.89 MAPT (0.33) ALDH1A1LMNAMAPTCYP2C9
SCHEMBL6667558 0.89 MAPT (0.33) ALDH1A1LMNAMAPTCYP2C9

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