SCHEMBL9337331

SCHEMBL9337331

CCCCCC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3ccc(OC(F)(F)C(F)F)cc3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 11/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
SPHK2 Q9NRA0 7/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL10596045 1.00 SPHK1 (0.39) SPHK1MAPTGAACYP2C9ALDH1A1
SCHEMBL9337038 1.00 SPHK1 (0.39) SPHK1MAPTGAACYP2C9ALDH1A1
SCHEMBL9337347 1.00 SPHK1 (0.39) SPHK1MAPTGAACYP2C9ALDH1A1
SCHEMBL9337015 1.00 SPHK1 (0.39) SPHK1MAPTGAACYP2C9ALDH1A1
SCHEMBL10596055 1.00 SPHK1 (0.39) SPHK1MAPTGAACYP2C9ALDH1A1
SCHEMBL9336843 0.99 CYP2C9 (0.39) SPHK1MAPTGAACYP2C9ALDH1A1
SCHEMBL9336858 0.99 CYP2C9 (0.39) SPHK1MAPTGAACYP2C9ALDH1A1
SCHEMBL9471859 0.95 SPHK1 (0.38) SPHK1MAPTGAACYP2C9ALDH1A1
SCHEMBL9337139 0.95 SPHK1 (0.38) SPHK1MAPTGAACYP2C9ALDH1A1
SCHEMBL9471999 0.95 SPHK1 (0.38) SPHK1MAPTGAACYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5348677-A Electro-optical liquid crystal display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-20 US disclosed
US-5196140-A ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-03-23 US disclosed
EP-0313604-B1 ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK PATENT GmbH (DE) 1992-03-25 EP disclosed