SCHEMBL9723987

SCHEMBL9723987

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.40
MEN1 O00255 3/20 0.39
MAPK1 P28482 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ESR2 Q92731 1/20 0.36
RAB9A P51151 2/20 0.36
SPHK1 Q9NYA1 3/20 0.35
DRD2 P14416 2/20 0.35
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL9336858 0.96 CYP2C9 (0.39) CYP2C9MEN1MAPK1KMT2AMAPT
SCHEMBL9336843 0.96 CYP2C9 (0.39) CYP2C9MEN1MAPK1KMT2AMAPT
SCHEMBL9337296 0.95 CYP2C9 (0.39) CYP2C9MEN1MAPK1KMT2AMAPT
SCHEMBL9337038 0.95 SPHK1 (0.39) CYP2C9MEN1MAPK1KMT2AMAPT
SCHEMBL10596045 0.95 SPHK1 (0.39) CYP2C9MEN1MAPK1KMT2AMAPT
SCHEMBL9471620 0.95 CYP2C9 (0.39) CYP2C9MEN1MAPK1KMT2AMAPT
SCHEMBL9337015 0.95 SPHK1 (0.39) CYP2C9MEN1MAPK1KMT2AMAPT
SCHEMBL9337347 0.95 SPHK1 (0.39) CYP2C9MEN1MAPK1KMT2AMAPT
SCHEMBL9337331 0.95 SPHK1 (0.39) CYP2C9MEN1MAPK1KMT2AMAPT
SCHEMBL10596055 0.95 SPHK1 (0.39) CYP2C9MEN1MAPK1KMT2AMAPT

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
EP-0313604-B1 ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK PATENT GmbH (DE) 1992-03-25 EP disclosed
EP-0313604-A1 ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT. MERCK PATENT GMBH (DE) 1989-05-03 EP disclosed
WO-1988008441-A1 ELECTRO-OPTICAL LIQUID CRYSTAL DISPLAY ELEMENT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-11-03 WO disclosed