SCHEMBL9737807

SCHEMBL9737807

O=S(=O)(O)c1ccc(S(=O)(=O)OS(=O)(=O)c2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 4/20 0.41
CASP6 P55212 3/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 3/20 0.39
NT5E P21589 2/20 0.39
TIMP3 P35625 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.36
THRB P10828 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
SCHEMBL5409149 0.85 ALDH1A1 (0.48) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL30084548 0.85 ALDH1A1 (0.48) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL3383190 0.83 ALDH1A1 (0.47) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL576079 0.78 PARP1 (0.36) TSHRKDM4ESMN1; SMN2PARP1
SCHEMBL8018327 0.78 ALDH1A1 (0.52) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL3296584 0.75 ALDH1A1 (0.52) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL30939652 0.75 ALDH1A1 (0.52) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL5116311 0.75 ALDH1A1 (0.44) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL10893907 0.74 ALDH1A1 (0.52) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL11812442 0.74 ALDH1A1 (0.47) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19

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-5143809-A Polyesters from bisphenol type diol, dicarboxylic acid and tricarboxylic acid KONICA CORPORATION (JP) 1992-09-01 US disclosed