SCHEMBL10522182

SCHEMBL10522182

CCCCOP(=O)(O)OP(=O)(O)OP(=O)(OCCCC)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 7/20 0.76
▸ P2RY2 P41231 4/20 0.76
▸ SRC P12931 2/20 0.76
▸ SMN1; SMN2 Q16637 2/20 0.76
▸ P2RX1 P51575 2/20 0.76
▸ P2RX3 P56373 2/20 0.76
▸ ALDH1A1 P00352 2/20 0.76
▸ P2RX4 Q99571 1/20 0.76
▸ P2RX2 Q9UBL9 1/20 0.76
▸ TRPM2 O94759 2/20 0.72
▸ MACROD2 A1Z1Q3 1/20 0.72
▸ SIRT6 Q8N6T7 1/20 0.72
▸ MACROD1 Q9BQ69 1/20 0.72
▸ DNPH1 O43598 1/20 0.68
▸ PRKAB2 O43741 1/20 0.68
▸ LDHA P00338 1/20 0.68
▸ ADRB2 P07550 1/20 0.68
▸ FBP1 P09467 1/20 0.68
▸ ADORA1 P30542 1/20 0.68
▸ PRKAG1 P54619 1/20 0.68

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
SCHEMBL10521997 0.99 P2RY1 (0.75) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL2167542 0.95 P2RY1 (0.84) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL17302811 0.95 P2RY1 (0.84) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL10520556 0.92 P2RY1 (0.78) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL2167549 0.90 P2RY1 (0.73) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL23070936 0.90 P2RY1 (0.73) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL2166391 0.90 P2RY1 (0.88) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL1270476 0.89 P2RY1 (0.77) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL22875605 0.89 P2RY1 (0.70) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL10792796 0.88 P2RY1 (0.75) P2RY1P2RY2SRCSMN1; SMN2P2RX1

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-4844884-A TYROSINE DERIVATIVES AND ADENOSINE-5'-PHOSPHATES INDUCHEM AG (CH) 1989-07-04 — — US claimed
US-4844884-A TYROSINE DERIVATIVES AND ADENOSINE-5'-PHOSPHATES INDUCHEM AG (CH) 1989-07-04 — — US disclosed
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