SCHEMBL8407553

SCHEMBL8407553

CCCCC1CCC(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
CYP2C9 P11712 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ESR2 Q92731 1/20 0.40
RAB9A P51151 1/20 0.39
SPHK1 Q9NYA1 2/20 0.38
TSHR P16473 1/20 0.38
DRD2 P14416 1/20 0.38
EPHX2 P34913 2/20 0.37
KDM2B Q8NHM5 1/20 0.37

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
SCHEMBL9061117 1.00 KDM1A (0.45) KDM1ARCOR1CYP2C9ALDH1A1LMNA
SCHEMBL9060242 0.96 L3MBTL1 (0.43) KDM1ARCOR1CYP2C9ALDH1A1LMNA
SCHEMBL4798875 0.96 KDM1A (0.42) KDM1ARCOR1CYP2C9ALDH1A1LMNA
SCHEMBL4798854 0.96 KDM1A (0.42) KDM1ARCOR1CYP2C9ALDH1A1LMNA
SCHEMBL9060249 0.96 L3MBTL1 (0.43) KDM1ARCOR1CYP2C9ALDH1A1LMNA
SCHEMBL3437360 0.96 KDM1A (0.42) KDM1ARCOR1CYP2C9ALDH1A1LMNA
SCHEMBL5343315 0.96 KDM1A (0.44) KDM1ARCOR1CYP2C9ALDH1A1LMNA
SCHEMBL9060795 0.96 KDM1A (0.44) KDM1ARCOR1CYP2C9ALDH1A1LMNA
SCHEMBL9061228 0.94 KDM1A (0.43) KDM1ARCOR1CYP2C9ALDH1A1LMNA
SCHEMBL9061593 0.94 KDM1A (0.43) KDM1ARCOR1CYP2C9ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0334911-B1 SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS MERCK PATENT GmbH (DE) 1993-02-10 EP claimed
EP-0438547-B2 SUPER-TWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1999-07-07 EP disclosed
US-5536442-A ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-16 US disclosed
US-5516454-A Supertwist liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-05-14 US disclosed
EP-0438547-B1 SUPER-TWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1994-12-14 EP disclosed
US-5324449-A Substituted phenyl trifluoromethyl ethers MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-06-28 US disclosed
EP-0438547-A1 SUPER-TWIST LIQUID CRYSTAL DISPLAY. MERCK PATENT GMBH (DE) 1991-07-31 EP disclosed
WO-1991000898-A1 SUPER-TWIST LIQUID CRYSTAL DISPLAY MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-01-24 WO disclosed