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SCHEMBL6665868

SCHEMBL6665868

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ TEAD1 P28347 2/20 0.31
▸ HTR2C P28335 2/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TACR1 P25103 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
SCHEMBL6667704 0.97 HTR2C (0.36) ACACBALDH1A1LMNAMAPTESR2
SCHEMBL6665640 0.96 ESR2 (0.33) ACACBALDH1A1LMNAMAPTESR2
SCHEMBL6662956 0.96 ACACB (0.31) ACACBALDH1A1LMNAMAPTESR2
SCHEMBL6665432 0.96 ALDH1A1 (0.33) ACACBALDH1A1LMNAMAPTESR2
SCHEMBL6664066 0.96 ACACB (0.31) ACACBALDH1A1LMNAMAPTESR2
SCHEMBL6665115 0.96 ALDH1A1 (0.40) ACACBALDH1A1LMNAMAPTESR2
SCHEMBL6661228 0.94 ACACB (0.30) ACACB
SCHEMBL6664035 0.94 ACACB (0.30) ACACB
SCHEMBL6664159 0.94 CYP2C9 (0.31) ACACBCYP2C9
SCHEMBL6662038 0.93 ALDH1A1 (0.33) ACACBALDH1A1LMNAMAPTCYP2C9

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