SCHEMBL21585511

SCHEMBL21585511

O=P(O)(O)Oc1ccc2cc(CO)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 5/20 0.50
INPP5A Q14642 4/20 0.50
SRC P12931 2/20 0.42
BLM P54132 1/20 0.42
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
PTGS1 P23219 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
CETP P11597 1/20 0.40
CA1 P00915 1/20 0.40
GPR84 Q9NQS5 1/20 0.40

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
SCHEMBL21585518 0.97 INPPL1 (0.47) INPPL1INPP5ASRCBLMCA2
SCHEMBL8386637 0.84 INPPL1 (0.65) INPPL1INPP5ASRCBLMCA2
SCHEMBL4957575 0.83 SRC (0.56) INPPL1INPP5ASRCBLMCA2
SCHEMBL28884101 0.80 SRC (0.54) INPPL1INPP5ASRCBLMSMN1; SMN2
SCHEMBL2344043 0.77 GPR84 (0.63) INPPL1INPP5ASRCCA2CA9
SCHEMBL29848582 0.77 GPR84 (0.63) INPPL1INPP5ASRCCA2CA9
SCHEMBL15998758 0.77 LTA4H (0.54) CA2CA12CA3CA4CA6
SCHEMBL21585529 0.76 CA12 (0.44) CA2CA12CA3CA4CA6
SCHEMBL1206769 0.76 CA2 (0.54) CA2CA12CA3CA4CA6
SCHEMBL29749150 0.76 CA2 (0.54) CA2CA12CA3CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108623745-B Phosphorus-containing polycarboxylate superplasticizer and preparation method thereof 科之杰新材料集团有限公司 2020-03-06 CN claimed
WO-2019233085-A1 PHOSPHORUS-CONTAINING POLYCARBOXYLATE SUPERPLASTICIZER AND PREPARATION METHOD THEREFOR 科之杰新材料集团有限公司 (CN) 2019-12-12 WO claimed
CN-108623745-B Phosphorus-containing polycarboxylate superplasticizer and preparation method thereof 科之杰新材料集团有限公司 2020-03-06 CN disclosed
WO-2019233085-A1 PHOSPHORUS-CONTAINING POLYCARBOXYLATE SUPERPLASTICIZER AND PREPARATION METHOD THEREFOR 科之杰新材料集团有限公司 (CN) 2019-12-12 WO disclosed