SCHEMBL8006791

SCHEMBL8006791

Cc1cc(OCC(=O)OC(C)(C)C)c(C2CCCCC2)cc1C(COc1ccccc1C(=O)OC(C)(C)C)c1cc(C2CCCCC2)c(OCC(=O)OC(C)(C)C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.43
PTGDR Q13258 6/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C9 P11712 2/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL8006787 0.83 PTGDR2 (0.46) PTGDR2PTGDRALDH1A1TSHRCYP2C9
SCHEMBL13655461 0.79 PTGDR2 (0.42) PTGDR2PTGDRALDH1A1TSHRCYP2C9
SCHEMBL13655464 0.78 PTGDR2 (0.41) PTGDR2PTGDRCYP2C9USP2CYP1A2
SCHEMBL13588058 0.76 PTGDR2 (0.39) PTGDR2PTGDRCYP2C9USP2CYP1A2
SCHEMBL13655468 0.76 PTGDR2 (0.44) PTGDR2PTGDRALDH1A1TSHRCYP2C9
SCHEMBL3273104 0.72 PTGDR2 (0.59) PTGDR2PTGDRPTGER2MEN1KMT2A
SCHEMBL8006794 0.69 ALOX5AP (0.44) PTGDR2PTGDRALDH1A1TSHRPTGER2
SCHEMBL3256458 0.69 KMT2A (0.41) ALDH1A1TSHRCYP2C9POLBMAPT
SCHEMBL14487083 0.68 PTGDR2 (0.43) PTGDR2PTGDRALDH1A1PTGER2MEN1
SCHEMBL20235270 0.68 ALDH1A1 (0.52) ALDH1A1TSHRCYP2C9CYP1A2MAPT

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
JP-2000086584-A NEW TRISPHENOL ETHERS HONSHU CHEM IND CO LTD 2000-03-28 JP disclosed