SCHEMBL14030488

SCHEMBL14030488

CCCC1CCC(c2ccc(-c3ccc(CCc4ccc(OC)cc4)cc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
CYP2C9 P11712 1/20 0.47
MAOB P27338 3/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
SPHK1 Q9NYA1 2/20 0.42
KCNA5 P22460 1/20 0.41
KCNH2 Q12809 1/20 0.41
DGAT1 O75907 1/20 0.41

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
SCHEMBL9258676 0.93 DRD2 (0.54) DRD2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9258683 0.93 DRD2 (0.54) DRD2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL10901919 0.90 CYP2C9 (0.55) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10901926 0.90 CYP2C9 (0.55) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL5351739 0.89 DRD2 (0.58) DRD2CYP2C9MAOBALDH1A1LMNA
SCHEMBL5351735 0.89 DRD2 (0.58) DRD2CYP2C9MAOBALDH1A1LMNA
SCHEMBL10903223 0.86 CYP2C9 (0.51) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10903218 0.86 CYP2C9 (0.51) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10899291 0.86 CYP2C9 (0.54) CYP2C9MAOBALDH1A1LMNAMAPT
SCHEMBL28669100 0.86 CYP2C9 (0.54) CYP2C9MAOBALDH1A1LMNAMAPT

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-7442418-B2 Polymerizable liquid crystal compound, liquid crystal composition, optical anisotropic material and optical element ASAHI GLASS COMPANY, LIMITED (JP) 2008-10-28 US disclosed
US-20070104894-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL AND OPTICAL ELEMENT ASAHI GLASS CO., LTD. (JP) 2007-05-10 US disclosed