SCHEMBL9060324

SCHEMBL9060324

CCCCCCCCC[C@H]1CC[C@H](C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
SPHK1 Q9NYA1 8/20 0.40
CYP2C9 P11712 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
EPHX2 P34913 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LIPE Q05469 1/20 0.36
SPHK2 Q9NRA0 4/20 0.36

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
SCHEMBL9061910 1.00 KDM1A (0.40) KDM1ARCOR1SPHK1CYP2C9MAPT
SCHEMBL9061708 1.00 KDM1A (0.40) KDM1ARCOR1SPHK1CYP2C9MAPT
SCHEMBL9061702 1.00 KDM1A (0.40) KDM1ARCOR1SPHK1CYP2C9MAPT
SCHEMBL9062081 1.00 KDM1A (0.40) KDM1ARCOR1SPHK1CYP2C9MAPT
SCHEMBL9061171 1.00 KDM1A (0.40) KDM1ARCOR1SPHK1CYP2C9MAPT
SCHEMBL9061929 1.00 KDM1A (0.40) KDM1ARCOR1SPHK1CYP2C9MAPT
SCHEMBL10535690 1.00 KDM1A (0.40) KDM1ARCOR1SPHK1CYP2C9MAPT
SCHEMBL9062074 1.00 KDM1A (0.40) KDM1ARCOR1SPHK1CYP2C9MAPT
SCHEMBL9061183 1.00 KDM1A (0.40) KDM1ARCOR1SPHK1CYP2C9MAPT
SCHEMBL9062053 1.00 KDM1A (0.40) KDM1ARCOR1SPHK1CYP2C9MAPT

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
US-5324449-A Substituted phenyl trifluoromethyl ethers MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-06-28 US claimed
EP-0334911-B1 SUBSTITUTED PHENYLTRIFLUORMETHYLETHERS MERCK PATENT GmbH (DE) 1993-02-10 EP claimed
US-5536442-A ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-16 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
US-4885360-A FOR CELLULOSE CIBA-GEIGY CORPORATION (US) 1989-12-05 US 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