SCHEMBL13917751

SCHEMBL13917751

NC1C(C(=O)O)c2ccccc2C1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.43
EDNRB P24530 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 0.37
TSHR P16473 3/20 0.37
POLB P06746 2/20 0.37
CYP3A4 P08684 1/20 0.37
PARP1 P09874 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CASP6 P55212 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL28435319 0.78 EDNRA (0.56) EDNRAEDNRBALDH1A1POLBCYP2C19
SCHEMBL28225287 0.77 EDNRA (0.37) EDNRAEDNRBALDH1A1CYP2C9POLB
SCHEMBL5593897 0.73 POLB (0.52) EDNRAEDNRBTSHRPOLBMEN1
SCHEMBL661008 0.71 ALDH1A1 (0.44) ALDH1A1TSHRMAPTNPSR1KDM1A
SCHEMBL13603804 0.71 EDNRB (0.48) EDNRAEDNRBALDH1A1CYP2C9POLB
SCHEMBL17686896 0.70 HTR2A (0.36) EDNRAEDNRBALDH1A1CYP2C9TSHR
SCHEMBL15840925 0.70 EDNRA (0.47) EDNRAEDNRBALDH1A1CYP3A4MAPT
SCHEMBL17686907 0.70 EDNRA (0.42) EDNRAEDNRBCYP2C9TSHRPOLB
SCHEMBL1812009 0.69 TSHR (0.45) TSHRNPSR1
SCHEMBL10355854 0.69 EDNRA (0.50) EDNRAEDNRBALDH1A1TSHRATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090061267-A1 POWER DEVICE AND OXYGEN GENERATOR BATTELLE MEMORIAL INSTITUTE (US) 2009-03-05 US disclosed
US-20090061267-A1 POWER DEVICE AND OXYGEN GENERATOR BATTELLE MEMORIAL INSTITUTE (US) 2009-03-05 US disclosed