SCHEMBL6663061

SCHEMBL6663061

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

nearest known ligand 0.40

Predicted protein targets (top 9)

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 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
ACACB O00763 1/20 0.31
ESR2 Q92731 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
SCHEMBL6667315 0.94 ALDH1A1 (0.34) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6666319 0.93 ALDH1A1 (0.33) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6663968 0.93 ACACB (0.32) ALDH1A1LMNAMAPTCYP2C9ACACB
SCHEMBL6667558 0.92 MAPT (0.33) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6665616 0.92 MAPT (0.33) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6665115 0.92 ALDH1A1 (0.40) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6664066 0.92 ACACB (0.31) ALDH1A1LMNAMAPTACACBESR2
SCHEMBL6662956 0.92 ACACB (0.31) ALDH1A1LMNAMAPTACACBESR2
SCHEMBL6667645 0.91 ALDH1A1 (0.46) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL6666728 0.91 HTR2C (0.33)

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 2 patents. 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
EP-0893423-A1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORPORATION (JP) 1999-01-27 EP disclosed