SCHEMBL9060328

SCHEMBL9060328

CCCCCCCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
SPHK1 Q9NYA1 9/20 0.40
MAPT P10636 2/20 0.40
SCN9A Q15858 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.39
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
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
SPHK2 Q9NRA0 5/20 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
SCHEMBL9060335 1.00 L3MBTL1 (0.41) L3MBTL1KDM1ARCOR1SPHK1MAPT
SCHEMBL9062448 1.00 L3MBTL1 (0.41) L3MBTL1KDM1ARCOR1SPHK1MAPT
SCHEMBL9062457 1.00 L3MBTL1 (0.41) L3MBTL1KDM1ARCOR1SPHK1MAPT
SCHEMBL9060663 1.00 L3MBTL1 (0.41) L3MBTL1KDM1ARCOR1SPHK1MAPT
SCHEMBL9060956 1.00 L3MBTL1 (0.41) L3MBTL1KDM1ARCOR1SPHK1MAPT
SCHEMBL9060659 1.00 L3MBTL1 (0.41) L3MBTL1KDM1ARCOR1SPHK1MAPT
SCHEMBL10533664 1.00 L3MBTL1 (0.41) L3MBTL1KDM1ARCOR1SPHK1MAPT
SCHEMBL9061970 1.00 L3MBTL1 (0.41) L3MBTL1KDM1ARCOR1SPHK1MAPT
SCHEMBL9061963 1.00 L3MBTL1 (0.41) L3MBTL1KDM1ARCOR1SPHK1MAPT
SCHEMBL8043539 1.00 L3MBTL1 (0.41) L3MBTL1KDM1ARCOR1SPHK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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