SCHEMBL9116771

SCHEMBL9116771

COc1ccccc1C(c1ccccc1)(c1ccccc1OC)C(O)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)[C@](C)(O)[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
ADORA2A P29274 4/20 0.34
ADORA3 P0DMS8 3/20 0.32
PDE9A O76083 1/20 0.31
HINT1 P49773 1/20 0.31
TYMP P19971 1/20 0.31

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
SCHEMBL9116775 0.90 KDM4E (0.42) KDM4ETAS1R3TAS1R1TAAR1ADORA2A
SCHEMBL441420 0.88 TAS1R3 (0.44) KDM4ETAS1R3TAS1R1TAAR1ADORA2A
SCHEMBL2113123 0.86 KDM4E (0.50) KDM4ETAS1R3TAS1R1TAAR1ADORA3
SCHEMBL2115345 0.81 TAS1R3 (0.52) TAS1R3TAS1R1TAAR1ADORA2AADORA3
SCHEMBL441421 0.78 TYMP (0.48) KDM4ETAS1R3TAS1R1TAAR1ADORA2A
SCHEMBL9155236 0.77 TAS1R3 (0.36) KDM4ETAS1R3TAS1R1TAAR1
SCHEMBL2113125 0.77 KDM4E (0.49) KDM4ETAS1R3TAS1R1TAAR1PDE9A
SCHEMBL7534659 0.77 KDM4E (0.49) KDM4ETAS1R3TAS1R1TAAR1PDE9A
SCHEMBL5963306 0.76 TYMP (0.44) KDM4ETAS1R3TAS1R1TAAR1ADORA2A
SCHEMBL9294603 0.76 TYMP (0.44) KDM4ETAS1R3TAS1R1TAAR1ADORA2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0651759-A4 NOVEL 2'-O-ALKYL NUCLEOSIDES AND PHOSPHORAMIDITES PROCESSES FOR THE PREPARATION AND USES THEREOF. ISIS PHARMACEUTICALS INC (US) 1995-10-25 EP disclosed
EP-0651759-A1 NOVEL 2'-O-ALKYL NUCLEOSIDES AND PHOSPHORAMIDITES PROCESSES FOR THE PREPARATION AND USES THEREOF ISIS PHARMACEUTICALS, INC. (US) 1995-05-10 EP disclosed
WO-1994002501-A1 NOVEL 2'-O-ALKYL NUCLEOSIDES AND PHOSPHORAMIDITES PROCESSES FOR THE PREPARATION AND USES THEREOF ISIS PHARMACEUTICALS, INC. (US) 1994-02-03 WO disclosed