SCHEMBL10790838

SCHEMBL10790838

CCCCCCCCCCCCCCCCOP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 7/20 0.75
▸ P2RY2 P41231 4/20 0.75
▸ SRC P12931 2/20 0.75
▸ SMN1; SMN2 Q16637 2/20 0.75
▸ P2RX1 P51575 2/20 0.75
▸ P2RX3 P56373 2/20 0.75
▸ ALDH1A1 P00352 2/20 0.75
▸ P2RX4 Q99571 1/20 0.75
▸ P2RX2 Q9UBL9 1/20 0.75
▸ TRPM2 O94759 2/20 0.72
▸ TAS1R3 Q7RTX0 2/20 0.72
▸ TAS1R1 Q7RTX1 2/20 0.72
▸ DNPH1 O43598 1/20 0.72
▸ PRKAB2 O43741 1/20 0.72
▸ LDHA P00338 1/20 0.72
▸ ADRB2 P07550 1/20 0.72
▸ FBP1 P09467 1/20 0.72
▸ ADORA1 P30542 1/20 0.72
▸ PRKAG1 P54619 1/20 0.72
▸ PRKAA2 P54646 1/20 0.72

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
SCHEMBL10792796 1.00 P2RY1 (0.75) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL9985929 1.00 P2RY1 (0.75) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL29859832 1.00 P2RY1 (0.75) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL10792068 1.00 P2RY1 (0.75) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL1270476 0.99 P2RY1 (0.77) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL10520556 0.96 P2RY1 (0.78) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL10791195 0.95 P2RY1 (0.69) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL10790393 0.94 P2RY1 (0.67) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL17302811 0.93 P2RY1 (0.84) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL2167542 0.93 P2RY1 (0.84) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58225097-A — — None — — JP disclosed
US-4668778-A Nucleoside 5'-alkyl- or alkenylphosphate YAMASA SHOYU KABUSHIKI KAISHA (JP) 1987-05-26 — — US disclosed
EP-0097376-B1 NUCLEOSIDE 5'-ALKYL- OR ALKENYLPHOSPHATE Yamasa Shoyu Kabushiki Kaisha (JP) 1986-09-17 — — EP disclosed
EP-0097376-A1 Nucleoside 5'-alkyl- or alkenylphosphate Yamasa Shoyu Kabushiki Kaisha (JP) 1984-01-04 — — EP disclosed
JP-S58225097-A NUCLEOSIDE 5'-ALKYL OR ALKENYLPHOSPHATE YAMASA SHOYU CO LTD 1983-12-27 — — JP disclosed
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