SCHEMBL9079838

SCHEMBL9079838

CCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@@H]1OC(=O)CCC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 5/20 0.53
▸ POLB P06746 1/20 0.52
▸ F2 P00734 1/20 0.47
▸ GSK3A P49840 2/20 0.46
▸ RPS6KA3 P51812 2/20 0.46
▸ MAPK14 Q16539 2/20 0.46
▸ P2RY2 P41231 1/20 0.46
▸ P2RY4 P51582 1/20 0.46
▸ P2RY6 Q15077 1/20 0.46
▸ PNP P00491 1/20 0.45
▸ KRAS P01116 1/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ FUT5 Q11128 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL22875468 0.93 HINT1 (0.50) HINT1POLBF2GSK3ARPS6KA3
SCHEMBL8447610 0.93 HINT1 (0.50) HINT1POLBF2GSK3ARPS6KA3
SCHEMBL5355041 0.93 HINT1 (0.50) HINT1POLBF2GSK3ARPS6KA3
SCHEMBL5352518 0.93 HINT1 (0.50) HINT1POLBF2GSK3ARPS6KA3
SCHEMBL5182230 0.92 POLB (0.51) HINT1POLBF2GSK3ARPS6KA3
SCHEMBL5347882 0.90 POLB (0.63) HINT1POLBF2GSK3ARPS6KA3
SCHEMBL23352540 0.87 POLB (0.54) HINT1POLBGSK3ARPS6KA3MAPK14
SCHEMBL17001491 0.87 POLB (0.54) HINT1POLBGSK3ARPS6KA3MAPK14
SCHEMBL3893075 0.87 POLB (0.54) HINT1POLBGSK3ARPS6KA3MAPK14
SCHEMBL18769456 0.87 POLB (0.54) HINT1POLBGSK3ARPS6KA3MAPK14

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
EP-0355131-B1 ACYL DEOXYRIBONUCLEOSIDE DERIVATIVES AND USES THEREOF PRO NEURON INC (US) 1996-09-04 — — EP disclosed
Send feedback