SCHEMBL8397473

SCHEMBL8397473

O=[N+]([O-])c1ccc(O)c(C(O)P(=O)(O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 2/20 0.60
GRM4 Q14833 2/20 0.60
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
GPR35 Q9HC97 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 3/20 0.49
THRB P10828 1/20 0.49
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL8394940 0.83 HSD17B10 (0.51) GRM8GRM4GRIN2DGRIN3BGRIN1
SCHEMBL8395045 0.83 GRIN2D (0.50) GRM8GRM4GRIN2DGRIN3BGRIN1
SCHEMBL8398658 0.83 ALDH1A1 (0.51) GRM8GRM4GRIN2DGRIN3BGRIN1
SCHEMBL8398452 0.79 TDP1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7465528 0.78 ALDH1A1 (0.55) GRM8GRM4GPR35ALDH1A1TP53
SCHEMBL8398611 0.78 POLB (0.51) GRM8GRM4GRIN2DGRIN3BGRIN1
SCHEMBL51384 0.76 ALDH1A1 (0.56) GRM8GRM4GPR35ALDH1A1TP53
SCHEMBL1647499 0.76 ALDH1A1 (0.56) GRM8GRM4GPR35ALDH1A1TP53
SCHEMBL4089285 0.76 GRM8 (1.00) GRM8GRM4
SCHEMBL8394979 0.75 PDE7A (0.56) GRM8GRM4GRIN2DGRIN3BGRIN1

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-5994563-A THIOPHENE DERIVATIVES, IMMUNOSUPPRESSANTS ORTHO PHARMACEUTICAL CORPORATION (US) 1999-11-30 US disclosed