SCHEMBL13345644

SCHEMBL13345644

CCCC1CCC(CCC2CCC(c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.58
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
MEN1 O00255 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
ESR2 Q92731 7/20 0.46
ESR1 P03372 5/20 0.41
CYP3A4 P08684 2/20 0.41
SPHK1 Q9NYA1 1/20 0.37
OPRL1 P41146 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL4802367 0.98 CYP2C9 (0.59) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL4802377 0.98 CYP2C9 (0.59) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7506574 0.93 CYP2C9 (0.55) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10778647 0.93 CYP2C9 (0.55) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8027625 0.93 CYP2C9 (0.55) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10782474 0.93 CYP2C9 (0.55) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL3437347 0.93 CYP2C9 (0.55) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9500005 0.93 CYP2C9 (0.55) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7910544 0.93 CYP2C9 (0.55) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7910535 0.93 CYP2C9 (0.55) CYP2C9ALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714977-B2 Liquid crystal optical modulation element and optical head device ASAHI GLASS COMPANY, LIMITED (JP) 2010-05-11 US disclosed
US-20070104895-A1 LIQUID CRYSTAL OPTICAL MODULATION ELEMENT AND OPTICAL HEAD DEVICE ASAHI GLASS COMPANY, LIMITED (JP) 2007-05-10 US disclosed