SCHEMBL8997276

SCHEMBL8997276

CCCC1COC(c2ccc(OC(F)(F)F)cc2)OC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.44
RCOR1 Q9UKL0 1/20 0.44
LIPE Q05469 2/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.34
CCR6 P51684 1/20 0.34
KCNH2 Q12809 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM2B Q8NHM5 1/20 0.34
MDM2 Q00987 1/20 0.34
SCN9A Q15858 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
CHRM4 P08173 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL7781353 0.94 KDM1A (0.40) KDM1ARCOR1LIPETSHRALDH1A1
SCHEMBL7781349 0.94 KDM1A (0.40) KDM1ARCOR1LIPETSHRALDH1A1
SCHEMBL7778778 0.92 KDM1A (0.39) KDM1ARCOR1LIPETSHRALDH1A1
SCHEMBL7778774 0.92 KDM1A (0.39) KDM1ARCOR1LIPETSHRALDH1A1
SCHEMBL8997278 0.92 KDM1A (0.42) KDM1ARCOR1LIPETSHRALDH1A1
SCHEMBL8997285 0.91 KDM1A (0.41) KDM1ARCOR1LIPETSHRALDH1A1
SCHEMBL9061281 0.89 KDM1A (0.40) KDM1ARCOR1LIPETSHRALDH1A1
SCHEMBL9062380 0.89 KDM1A (0.40) KDM1ARCOR1LIPETSHRALDH1A1
SCHEMBL9061756 0.89 KDM1A (0.40) KDM1ARCOR1LIPETSHRALDH1A1
SCHEMBL9060432 0.89 KDM1A (0.40) KDM1ARCOR1LIPETSHRALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0471831-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 1996-08-14 EP disclosed
US-5536442-A ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-16 US disclosed
US-5389289-A Chemical and heat resistance MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
US-5324449-A Substituted phenyl trifluoromethyl ethers MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-06-28 US disclosed
EP-0334911-B1 SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS MERCK PATENT GmbH (DE) 1993-02-10 EP disclosed
EP-0471831-A1 LIQUID CRYSTALLINE MEDIUM. MERCK PATENT GMBH (DE) 1992-02-26 EP disclosed
WO-1991013947-A2 LIQUID CRYSTALLINE MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-09-19 WO disclosed
EP-0334911-A1 SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS MERCK PATENT GmbH (DE) 1989-10-04 EP disclosed
WO-1989002884-A1 SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-04-06 WO disclosed