SCHEMBL2960115

SCHEMBL2960115

O=C(O)c1cc(OP(=O)(O)c2cc(C(=O)O)cc(C(=O)O)c2)cc(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 2/20 0.40
INPP5A Q14642 2/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA7 P43166 4/20 0.36
CA9 Q16790 4/20 0.36
CA4 P22748 3/20 0.36
CA5A P35218 3/20 0.36
CA5B Q9Y2D0 3/20 0.36
CA14 Q9ULX7 3/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
AKR1C3 P42330 1/20 0.35
PLA2G2A P14555 1/20 0.35
TPMT P51580 2/20 0.34
CA3 P07451 2/20 0.34
CA6 P23280 2/20 0.34

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
SCHEMBL29249385 0.82 INPPL1 (0.62) INPPL1INPP5AMEN1KMT2ACA12
SCHEMBL2962704 0.78 AKR1C3 (0.53) KMT2ACA12CA1CA2CA9
SCHEMBL563506 0.74 CA2 (0.44) CA12CA1CA2CA7CA9
SCHEMBL563575 0.74 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL2964442 0.73 CA1 (0.50) KMT2ACA12CA1CA2CA7
SCHEMBL29503492 0.72 MEN1 (0.58) MEN1KMT2ACA12CA1CA2
SCHEMBL31023881 0.70 TPMT (0.55) INPPL1INPP5AMEN1KMT2ATPMT
SCHEMBL11057643 0.70 KMT2A (0.54) MEN1KMT2ACA1CA2PLA2G2A
Phosphoric Acid Monomethyl Ester SCHEMBL9424981 0.69 CA1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL29272509 0.69 TPMT (0.46) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759450-B2 Polytrimethylene terephthalate resin and method for producing the same ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-07-20 US disclosed
US-20060128905-A1 Polytrimethylene terephthalate resin and method for production thereof ASAHI KASEI CHEMICALS CORPORATION (JP) 2006-06-15 US disclosed
EP-1571171-A1 POLYTRIMETHYLENE TEREPHTHALATE RESIN AND METHOD FOR PRODUCTION THEREOF Asahi Kasei Chemicals Corporation (JP) 2005-09-07 EP disclosed