SCHEMBL3145043

SCHEMBL3145043

O=C(O)c1ccc(P(=O)=O)c(C(=O)O)c1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 2/20 0.35
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL29441334 0.75 CYP2D6 (0.38) CYP2D6ALOX15CYP1A2ALDH1A1HSD17B10
SCHEMBL150520 0.75 CYP2D6 (0.38) CYP2D6ALOX15CYP1A2ALDH1A1HSD17B10
SCHEMBL3282929 0.75 ALOX15 (0.41) CYP2D6ALOX15CYP1A2ALDH1A1HSD17B10
SCHEMBL11582987 0.75 CYP2D6 (0.38) CYP2D6ALOX15CYP1A2ALDH1A1HSD17B10
SCHEMBL10951895 0.75 KDM4E (0.41) CYP2D6ALOX15CYP1A2ALDH1A1HSD17B10
Ammonia Solution, Strong SCHEMBL19742889 0.74 ALOX15 (0.40) CYP2D6ALOX15CYP1A2ALDH1A1HSD17B10
Ammonia Solution, Strong SCHEMBL19742890 0.74 ALOX15 (0.40) CYP2D6ALOX15CYP1A2ALDH1A1HSD17B10
SCHEMBL8099247 0.72 ALOX15 (0.39) CYP2D6ALOX15CYP1A2ALDH1A1HSD17B10
SCHEMBL6695939 0.71 CYP2D6 (0.44) CYP2D6ALOX15CYP1A2ALDH1A1HSD17B10
Terephthalic Acid SCHEMBL27317683 0.70 APEX1 (0.39) CYP2D6ALOX15ALDH1A1HSD17B10KDM4E

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-20100184915-A1 COPOLYMERIZED LACTIC ACID TYPE RESIN HAVING A PHOSPHONIUM SULFOISOPHTHALATE STRUCTURE TOYO BOSEKI KABUSHIKI KAISHA (JP) 2010-07-22 US disclosed
EP-2151464-A1 PHOSPHONIUM SULFOISOPHTHALATE STRUCTURE-COPOLYMERIZED LACTIC ACID-BASED RESIN Toyo Boseki Kabushiki Kaisha (JP) 2010-02-10 EP disclosed