SCHEMBL6663501

SCHEMBL6663501

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.36
TACR1 P25103 3/20 0.32
TEAD1 P28347 2/20 0.31
CYP3A4 P08684 1/20 0.31
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
IDO1 P14902 1/20 0.30
ESR2 Q92731 1/20 0.30
LIPE Q05469 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
SCHEMBL6666597 0.97 ALDH1A1 (0.32) HTR2CTACR1ALDH1A1LMNAMAPT
SCHEMBL6661316 0.93 ESR2 (0.32) ALDH1A1LMNAMAPTESR2
SCHEMBL6667623 0.93 ALDH1A1 (0.39) ALDH1A1LMNAMAPT
SCHEMBL6665825 0.93 ALDH1A1 (0.32) ALDH1A1LMNAMAPT
SCHEMBL6664035 0.92 ACACB (0.30)
SCHEMBL6661228 0.92 ACACB (0.30)
SCHEMBL6664941 0.91
SCHEMBL6667969 0.91
SCHEMBL6664962 0.91
SCHEMBL6664905 0.90

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