SCHEMBL7939364

SCHEMBL7939364

CCc1cccc2cc3ccccc3c(CO)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 3/20 0.40
ERBB2 P04626 1/20 0.40
FYN P06241 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
AHR P35869 1/20 0.40
CES1 P23141 1/20 0.38
CYP2C19 P33261 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL1070803 0.80 CYP1A2 (0.47) HTR2AL3MBTL1CYP1A2ERBB2FYN
SCHEMBL30095985 0.80 CYP1A2 (0.47) HTR2AL3MBTL1CYP1A2ERBB2FYN
SCHEMBL17417163 0.80 GPR35 (0.47) HTR2AL3MBTL1CYP1A2CYP2C19TDP1
Methane SCHEMBL7939371 0.79 GABRA1 (0.47) CYP1A2ERBB2FYNMAOAACHE
Alcohol SCHEMBL2553967 0.79 HTR2A (0.54) HTR2AL3MBTL1CYP1A2CYP2C19TDP1
SCHEMBL7941454 0.78 ALDH1A1 (0.41) HTR2AL3MBTL1CYP1A2ERBB2FYN
SCHEMBL7938127 0.78 ALDH1A1 (0.52) HTR2AL3MBTL1CYP1A2ERBB2FYN
SCHEMBL27615401 0.77 L3MBTL1 (0.42) HTR2AL3MBTL1CYP1A2ERBB2FYN
SCHEMBL5751362 0.77 CYP1A2 (0.42) HTR2AL3MBTL1CYP1A2ERBB2FYN
SCHEMBL7938133 0.77 HTR2A (0.48) HTR2AL3MBTL1CYP1A2ERBB2FYN

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
US-6242161-B1 ABSORPTION COATINGS USING COPOLYMERS JSR CORPORATION (JP) 2001-06-05 US disclosed