SCHEMBL7730581

SCHEMBL7730581

CCCCCCCCC[C@H]1CC[C@H](c2ccc(C(F)(F)Oc3ccc(OC(F)(F)F)cc3)c(F)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
SPHK1 Q9NYA1 3/20 0.32
SCN9A Q15858 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CYP2C9 P11712 1/20 0.32
S1PR1 P21453 4/20 0.32
S1PR4 O95977 1/20 0.32
S1PR5 Q9H228 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
S1PR3 Q99500 1/20 0.32
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
EPHX2 P34913 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL7731504 1.00 KDM1A (0.35) KDM1ARCOR1MAPTGAASPHK1
SCHEMBL7722818 1.00 KDM1A (0.35) KDM1ARCOR1MAPTGAASPHK1
SCHEMBL7730589 1.00 KDM1A (0.35) KDM1ARCOR1MAPTGAASPHK1
SCHEMBL7735501 1.00 KDM1A (0.35) KDM1ARCOR1MAPTGAASPHK1
SCHEMBL7732572 1.00 KDM1A (0.35) KDM1ARCOR1MAPTGAASPHK1
SCHEMBL7732565 1.00 KDM1A (0.35) KDM1ARCOR1MAPTGAASPHK1
SCHEMBL7735504 1.00 KDM1A (0.35) KDM1ARCOR1MAPTGAASPHK1
SCHEMBL7731513 1.00 KDM1A (0.35) KDM1ARCOR1MAPTGAASPHK1
SCHEMBL8476484 1.00 KDM1A (0.35) KDM1ARCOR1MAPTGAASPHK1
SCHEMBL7732537 0.99 KDM1A (0.36) KDM1ARCOR1MAPTGAASPHK1

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 3 patents. 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
US-5858270-A Difluorooxymethane derivative and liquid crystal composition CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed