SCHEMBL2952083

SCHEMBL2952083

[C]1CCCc2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
CYP2A6 P11509 1/20 0.44
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NOS3 P29474 2/20 0.39
CES1 P23141 1/20 0.39
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
DRD4 P21917 1/20 0.35
CYP19A1 P11511 3/20 0.34
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
MAPT P10636 1/20 0.34
MIF P14174 1/20 0.34
NOS2 P35228 1/20 0.33
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 1/20 0.33
PDPK1 O15530 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
SCHEMBL2285719 0.88 CES1 (0.41) MAOAMAOBCYP2A6TSHRHPGD
SCHEMBL286696 0.83 TSHR (0.48) MAOAMAOBCYP2A6TSHRHPGD
SCHEMBL3884 0.83 TSHR (0.48) MAOAMAOBCYP2A6TSHRHPGD
SCHEMBL62945 0.77 TSHR (0.52) MAOAMAOBCYP2A6TSHRHPGD
SCHEMBL9421049 0.77 TSHR (0.52) MAOAMAOBCYP2A6TSHRHPGD
SCHEMBL7650604 0.76 MAOA (0.48) MAOAMAOBCYP2A6TSHRCES1
SCHEMBL4862241 0.76 MAOA (0.53) MAOAMAOBCYP2A6TSHRHPGD
SCHEMBL3084852 0.76 MAOA (0.53) MAOAMAOBCYP2A6TSHRHPGD
SCHEMBL177122 0.75 TSHR (0.50) MAOAMAOBCYP2A6TSHRHPGD
SCHEMBL31430380 0.75 TSHR (0.71) MAOAMAOBCYP2A6TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805278-B1 PHOTOCHROMIC H-ANNELLATED BENZO(F)CHROME-DERIVATIVES RODENSTOCK GMBH (DE) 2010-01-06 EP claimed
US-7544315-B2 Photochromic h-annellated benzo[f]chromene compounds RODENSTOCK GMBH (DE) 2009-06-09 US claimed
US-20070246692-A1 For example, 2-(4-methoxyphenyl)-2-phenyl-2H-benzofurano[1,2-h]benzo[f]chromene; use in photochromic synthetic resin articles, particularly ophthalmic lenses RODENSTOCK GMBH (DE) 2007-10-25 US claimed
US-7544315-B2 Photochromic h-annellated benzo[f]chromene compounds RODENSTOCK GMBH (DE) 2009-06-09 US disclosed
US-20070246692-A1 For example, 2-(4-methoxyphenyl)-2-phenyl-2H-benzofurano[1,2-h]benzo[f]chromene; use in photochromic synthetic resin articles, particularly ophthalmic lenses RODENSTOCK GMBH (DE) 2007-10-25 US disclosed