SCHEMBL16702978

SCHEMBL16702978

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C(OC)C2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMP P19971 11/20 0.68
HPGD P15428 1/20 0.54
HINT1 P49773 4/20 0.52
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
GSK3A P49840 2/20 0.50
RPS6KA3 P51812 2/20 0.50
MAPK14 Q16539 2/20 0.50
NT5E P21589 1/20 0.49

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
SCHEMBL1738400 1.00 TYMP (0.68) TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL18042134 1.00 TYMP (0.68) TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL21905181 0.94 TYMP (0.67) TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL6420722 0.93 TYMP (0.79) TYMPHPGDHINT1GSK3ARPS6KA3
SCHEMBL17223100 0.92 TYMP (0.64) TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL6460952 0.91 TYMP (0.63) TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL313746 0.90 TYMP (0.62) TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL313747 0.90 TYMP (0.62) TYMPHPGDHINT1TAS1R3TAS1R1
SCHEMBL5960204 0.90 TYMP (0.69) TYMPHPGDHINT1GSK3ARPS6KA3
SCHEMBL10433562 0.89 TYMP (0.60) TYMPHPGDHINT1TAS1R3TAS1R1

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
EP-3066105-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING DISULFIDE GROUPS Solstice Biologics, Ltd. (IE) 2016-09-14 EP disclosed
WO-2015069932-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING DISULFIDE GROUPS SOLSTICE BIOLOGICS, LTD. (IE) 2015-05-14 WO disclosed