SCHEMBL3579208

SCHEMBL3579208

CCCCC1CCC(c2ccc(C3CO3)c(F)c2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRL1 P41146 13/20 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
SCHEMBL2606306 0.91 CYP2C9 (0.38) MEN1MAPK1KMT2AMAPTCYP2C9
SCHEMBL12821240 0.91 CYP2C9 (0.38) MEN1MAPK1KMT2AMAPTCYP2C9
SCHEMBL3576039 0.87 CYP2C9 (0.36) MEN1MAPK1KMT2AMAPTCYP2C9
SCHEMBL10051625 0.87 CYP2C9 (0.36) MEN1MAPK1KMT2AMAPTCYP2C9
SCHEMBL12836498 0.86 CYP2C9 (0.35) MEN1MAPK1KMT2AMAPTCYP2C9
SCHEMBL13675142 0.86 OPRL1 (0.34) GAAMEN1MAPK1KMT2ACYP1A2
SCHEMBL13126276 0.86 OPRL1 (0.37) GAAMEN1MAPK1KMT2ACYP1A2
SCHEMBL12821091 0.85 ALDH1A1 (0.34) MAPK1MAPTOPRL1
SCHEMBL13439228 0.85 ALDH1A1 (0.34) MAPK1MAPTOPRL1
SCHEMBL2606304 0.84 CYP2C9 (0.36) GAAMEN1MAPK1KMT2ACYP1A2

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-20120292567-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2012-11-22 US disclosed
US-20110253933-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2011-10-20 US disclosed
US-20110186776-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2011-08-04 US disclosed