SCHEMBL12769092

SCHEMBL12769092

COc1ccc(C2CC=C(c3ccc(Cl)c(C)c3)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
ACLY P53396 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
EGFR P00533 3/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A4 P31645 1/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 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
SCHEMBL12769090 0.86 ALDH1A1 (0.41) ALDH1A1MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL22269082 0.85 ALDH1A1 (0.51) ALDH1A1MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL13614326 0.78 DRD2 (0.36) ALDH1A1MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL13446813 0.78 PKM (0.39) ALDH1A1MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL12769107 0.77 SLC6A4 (0.40) ALDH1A1MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL20126164 0.74 ALDH1A1 (0.41) ALDH1A1MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL20734692 0.73
SCHEMBL2720921 0.72 MCHR1 (0.39) MCHR1
SCHEMBL13614359 0.72 DRD2 (0.34) ALDH1A1MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL503351 0.72 ESR2 (0.44) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7901591-B2 Bifunctional polymerizable compound, liquid crystal composition, optical anisotropic material and optical element ASAHI GLASS COMPANY, LIMITED (JP) 2011-03-08 US disclosed
US-7901591-B2 Bifunctional polymerizable compound, liquid crystal composition, optical anisotropic material and optical element ASAHI GLASS COMPANY, LIMITED (JP) 2011-03-08 US disclosed
US-20100038587-A1 BIFUNCTIONAL POLYMERIZABLE COMPOUND, LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL AND OPTICAL ELEMENT ASAHI GLASS COMPANY, LIMITED (JP) 2010-02-18 US disclosed
US-20100038587-A1 BIFUNCTIONAL POLYMERIZABLE COMPOUND, LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL AND OPTICAL ELEMENT ASAHI GLASS COMPANY, LIMITED (JP) 2010-02-18 US disclosed