SCHEMBL19356965

SCHEMBL19356965

COc1ccc(C(OC[C@@]23CO[C@@H]([C@H](n4cnc5c(=O)[nH]c(CC(C)C(N)=O)nc54)O2)[C@@H]3O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 7/20 0.44
▸ HPGD P15428 1/20 0.37
▸ TAAR1 Q96RJ0 2/20 0.35
▸ ADORA3 P0DMS8 4/20 0.34
▸ ADORA2A P29274 4/20 0.34
▸ ADORA1 P30542 3/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ NT5E P21589 2/20 0.32
▸ HINT1 P49773 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32

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
SCHEMBL30140997 0.87 TYMP (0.51) TYMPHPGDTAAR1HINT1TAS1R3
SCHEMBL24513002 0.85 TYMP (0.45) TYMPHPGDTAAR1ADORA3TAS1R3
SCHEMBL19362152 0.85 TYMP (0.45) TYMPHPGDTAAR1ADORA3TAS1R3
SCHEMBL1096942 0.85 TYMP (0.45) TYMPHPGDTAAR1ADORA3TAS1R3
SCHEMBL19357014 0.85 TYMP (0.36) TYMPHPGD
SCHEMBL22594612 0.81 TYMP (0.45) TYMPHPGDADORA3NT5E
SCHEMBL31359570 0.81 TYMP (0.45) TYMPHPGDADORA3NT5E
SCHEMBL22556252 0.81 TYMP (0.45) TYMPHPGDADORA3NT5E
SCHEMBL22556249 0.81 TYMP (0.45) TYMPHPGDADORA3NT5E
SCHEMBL30141048 0.80 TYMP (0.44) TYMPADORA3ADORA2AADORA1ADORA2B

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-3430021-A1 ACYL-PROTECTED L-LNA-GUANOSINE MONOMERS Roche Innovation Center Copenhagen A/S (DK) 2019-01-23 — — EP disclosed
WO-2017157672-A1 ACYL-PROTECTED L-LNA-GUANOSINE MONOMERS ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) 2017-09-21 — — WO disclosed
Send feedback