SCHEMBL7722714

SCHEMBL7722714

CC[C@H]1CC[C@H](C2CCC(c3ccc(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)cc3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
IDO1 P14902 1/20 0.31
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
SCHEMBL7722720 1.00 HTR2C (0.32) HTR2CALDH1A1LMNAMAPTDGAT1
SCHEMBL7722724 1.00 HTR2C (0.32) HTR2CALDH1A1LMNAMAPTDGAT1
SCHEMBL7731321 0.97 HTR2C (0.34) HTR2CALDH1A1LMNAMAPTDGAT1
SCHEMBL7731318 0.97 HTR2C (0.34) HTR2CALDH1A1LMNAMAPTDGAT1
SCHEMBL7731493 0.92 ALDH1A1 (0.40) HTR2CALDH1A1LMNAMAPTIDO1
SCHEMBL7731485 0.92 ALDH1A1 (0.40) HTR2CALDH1A1LMNAMAPTIDO1
SCHEMBL7731499 0.92 ALDH1A1 (0.40) HTR2CALDH1A1LMNAMAPTIDO1
SCHEMBL7734909 0.91 ALDH1A1 (0.33) HTR2CALDH1A1LMNAMAPTDGAT1
SCHEMBL7734897 0.91 ALDH1A1 (0.33) HTR2CALDH1A1LMNAMAPTDGAT1
SCHEMBL7734904 0.91 ALDH1A1 (0.33) HTR2CALDH1A1LMNAMAPTDGAT1

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-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed