SCHEMBL27628516

SCHEMBL27628516

CC(C)c1ccc(Cc2ccc(P)cc2)c(C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
SLC5A2 P31639 4/20 0.33
SLC5A1 P13866 3/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
LMNA P02545 1/20 0.32
PNP P00491 1/20 0.32
TYR P14679 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CNR2 P34972 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
TRPA1 O75762 1/20 0.31
PTGS1 P23219 1/20 0.31
CACNA1C Q13936 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL28043207 0.83 ESR1 (0.44) TYRGABRA1GABRB2TRPA1PTGS1
SCHEMBL5050256 0.82 FABP3 (0.41) IDO1HTR1DHTR1BFABP3FABP4
SCHEMBL27648531 0.80 FABP3 (0.33) IDO1HTR1DHTR1BSLC5A2SLC5A1
SCHEMBL27628517 0.79 GPR55 (0.33) HTR1DFABP3FABP4FABP5LMNA
SCHEMBL27906811 0.77 TYR (0.39) HTR1DHTR1BSLC5A2SLC5A1TYR
SCHEMBL9721074 0.74 TSHR (0.46) ALDH1A1GAAHTT
SCHEMBL28119935 0.72 GABRA1 (0.46) FABP3FABP4FABP5LMNATYR
SCHEMBL24203430 0.72 SLC5A1 (0.42) IDO1HTR1DHTR1BSLC5A2SLC5A1
SCHEMBL677272 0.71 FABP3 (0.38) IDO1HTR1DHTR1BFABP3FABP4
SCHEMBL22356520 0.71 FABP3 (0.38) IDO1HTR1DHTR1BFABP3FABP4

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
CN-1813021-A Method for producing cycloolefin resin film or sheet JSR CORP (JP) 2006-08-02 CN disclosed