SCHEMBL7731482

SCHEMBL7731482

CC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(C(F)(F)Oc4ccc(OC(F)(F)F)cc4)cc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PDE2A O00408 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 4/20 0.34
CCR6 P51684 2/20 0.33
KCNH2 Q12809 1/20 0.33
CYP2C9 P11712 1/20 0.33
KIF11 P52732 1/20 0.33
HTR2C P28335 1/20 0.33
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL7731470 1.00 KDM1A (0.40) KDM1ARCOR1L3MBTL1ALDH1A1LMNA
SCHEMBL7731478 1.00 KDM1A (0.40) KDM1ARCOR1L3MBTL1ALDH1A1LMNA
SCHEMBL7730716 0.96 KDM1A (0.42) KDM1ARCOR1L3MBTL1ALDH1A1LMNA
SCHEMBL7730711 0.96 KDM1A (0.42) KDM1ARCOR1L3MBTL1ALDH1A1LMNA
SCHEMBL7735321 0.94 KDM1A (0.40) KDM1ARCOR1L3MBTL1ALDH1A1LMNA
SCHEMBL7735315 0.94 KDM1A (0.40) KDM1ARCOR1L3MBTL1ALDH1A1LMNA
SCHEMBL7735317 0.94 KDM1A (0.40) KDM1ARCOR1L3MBTL1ALDH1A1LMNA
SCHEMBL7730578 0.93 HTR2C (0.41) KDM1ARCOR1ALDH1A1LMNAMAPT
SCHEMBL7730592 0.93 HTR2C (0.41) KDM1ARCOR1ALDH1A1LMNAMAPT
SCHEMBL7730583 0.93 HTR2C (0.41) KDM1ARCOR1ALDH1A1LMNAMAPT

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