SCHEMBL13636733

SCHEMBL13636733

CCCCCC1CCC(C2CCC(c3ccc(CC)c(F)c3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SPHK1 Q9NYA1 2/20 0.35
RORC P51449 2/20 0.34
S1PR1 P21453 5/20 0.34
SGPL1 O95470 1/20 0.34
CTSK P43235 1/20 0.33
CTSC P53634 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR5 Q9H228 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL10043317 0.99 CYP2C9 (0.41) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10043109 0.99 CYP2C9 (0.41) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10043318 0.97 CYP2C9 (0.40) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10043273 0.94 OPRL1 (0.37) CYP2C9MAPTALDH1A1LMNAHRH3
SCHEMBL10043124 0.94 OPRL1 (0.37) CYP2C9MAPTALDH1A1LMNAHRH3
SCHEMBL10043277 0.93 OPRL1 (0.37) CYP2C9MAPTALDH1A1LMNAGAA
SCHEMBL10043128 0.93 OPRL1 (0.37) CYP2C9MAPTALDH1A1LMNAGAA
SCHEMBL10408465 0.91 CYP2C9 (0.48) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10408468 0.91 CYP2C9 (0.48) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10408470 0.91 CYP2C9 (0.48) CYP2C9MAPTALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123623-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2009-11-25 EP disclosed