SCHEMBL31212995

SCHEMBL31212995

CCCCCCCCCC(=O)OP(=O)(O)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 5/20 0.71
▸ P2RY2 P41231 4/20 0.71
▸ SRC P12931 2/20 0.71
▸ SMN1; SMN2 Q16637 2/20 0.71
▸ P2RX1 P51575 1/20 0.71
▸ P2RX3 P56373 1/20 0.71
▸ P2RX4 Q99571 1/20 0.71
▸ P2RX2 Q9UBL9 1/20 0.71
▸ ALDH1A1 P00352 1/20 0.71
▸ TRPM2 O94759 2/20 0.68
▸ TAS1R3 Q7RTX0 2/20 0.68
▸ TAS1R1 Q7RTX1 2/20 0.68
▸ 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
▸ PRKAA2 P54646 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
SCHEMBL11909560 1.00 P2RY1 (0.71) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL31538691 1.00 P2RY1 (0.71) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL30252355 1.00 P2RY1 (0.71) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL11909558 1.00 P2RY1 (0.71) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL30437031 0.93 P2RY1 (0.72) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL15455519 0.91 P2RY1 (0.67) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL30381845 0.90 P2RY1 (0.78) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL1332918 0.90 P2RY1 (0.78) P2RY1P2RY2SRCSMN1; SMN2P2RX1
Adenosine Phosphate SCHEMBL3861077 0.89 P2RY1 (0.78) P2RY1P2RY2SRCSMN1; SMN2P2RX1
Adenosine Phosphate SCHEMBL14812251 0.89 P2RY1 (0.78) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118931855-A Daptomycin high-yield engineering strain with high decanoic acid tolerance, construction and application thereof 浙江大学 2024-11-12 — — CN disclosed
Send feedback