SCHEMBL8997285

SCHEMBL8997285

CCCCCC1COC(c2ccc(OC(F)(F)F)cc2)OC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
SCN9A Q15858 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
TSHR P16473 1/20 0.35
LIPE Q05469 3/20 0.34
CHRM4 P08173 1/20 0.34
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM2B Q8NHM5 1/20 0.32
GRM2 Q14416 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CCR6 P51684 1/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 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
SCHEMBL9060878 0.99 KDM1A (0.40) KDM1ARCOR1SCN9AHDAC3HDAC1
SCHEMBL9062380 0.99 KDM1A (0.40) KDM1ARCOR1SCN9AHDAC3HDAC1
SCHEMBL9061756 0.99 KDM1A (0.40) KDM1ARCOR1SCN9AHDAC3HDAC1
SCHEMBL9060432 0.99 KDM1A (0.40) KDM1ARCOR1SCN9AHDAC3HDAC1
SCHEMBL9061281 0.99 KDM1A (0.40) KDM1ARCOR1SCN9AHDAC3HDAC1
SCHEMBL8997278 0.96 KDM1A (0.42) KDM1ARCOR1SCN9AHDAC3HDAC1
SCHEMBL7782359 0.94 KDM1A (0.38) KDM1ARCOR1SCN9AHDAC3HDAC1
SCHEMBL7782355 0.94 KDM1A (0.38) KDM1ARCOR1SCN9AHDAC3HDAC1
SCHEMBL7774591 0.93 KDM1A (0.37) KDM1ARCOR1SCN9AHDAC3HDAC1
SCHEMBL7774593 0.93 KDM1A (0.37) KDM1ARCOR1SCN9AHDAC3HDAC1

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