SCHEMBL11219965

SCHEMBL11219965

O=C(Nc1ccccc1)C1C=CC(C(=O)O)(C(=O)O)C=C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
TOP2A P11388 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TP53 P04637 1/20 0.44
EPHX1 P07099 1/20 0.44
TSHR P16473 1/20 0.44
EPHX2 P34913 1/20 0.44
CDK9 P50750 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
GAA P10253 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
GFER P55789 1/20 0.44
F13A1 P00488 1/20 0.42
TGM2 P21980 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL10339863 0.84 HPGD (0.46) HPGDTOP2ASLC22A12HDAC6TP53
SCHEMBL1413119 0.83 F13A1 (0.46) HPGDTOP2ASLC22A12HDAC6TP53
SCHEMBL9271641 0.79 POLB (0.41) HPGDTOP2ASLC22A12HDAC6TP53
SCHEMBL8985174 0.78 MEN1 (0.41) HPGDTOP2ASLC22A12HDAC6TP53
SCHEMBL9262914 0.76 MEN1 (0.42) HPGDTOP2ASLC22A12HDAC6TP53
SCHEMBL1404328 0.76 TOP2A (0.42) HPGDTOP2ASLC22A12HDAC6TP53
SCHEMBL6865135 0.76 F13A1 (0.38) HPGDTOP2ASLC22A12HDAC6TP53
SCHEMBL9423167 0.75 F13A1 (0.40) HPGDTOP2ASLC22A12HDAC6SMN1; SMN2
SCHEMBL1252939 0.75 HPGD (0.44) HPGDTOP2ASLC22A12HDAC6TP53
SCHEMBL363122 0.73 MAPT (0.40) HPGDTP53EPHX1TSHRSMN1; SMN2

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
JP-57038820-A None JP disclosed
JP-S5738820-A PRODUCTION OF AMIDO-CONTAINING COPOLYESTER TORAY IND INC 1982-03-03 JP disclosed