SCHEMBL21473339

SCHEMBL21473339

COc1ccc(C(OCC2CCC(n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)O2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 8/20 0.48
KDM4E B2RXH2 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
CYP1A2 P05177 1/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALB P02768 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.35
PDE9A O76083 4/20 0.35
TAAR1 Q96RJ0 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE5A O76074 2/20 0.34
PDE4A P27815 2/20 0.34
PDE1B Q01064 2/20 0.34
PDE4B Q07343 2/20 0.34

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
SCHEMBL13493900 1.00 TYMP (0.48) TYMPKDM4ETAS1R3TAS1R1CYP1A2
SCHEMBL19505895 0.92 TYMP (0.49) TYMPKDM4ETAS1R3TAS1R1CYP1A2
SCHEMBL31093208 0.91 TYMP (0.51) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL19505749 0.91 TYMP (0.48) TYMPKDM4ETAS1R3TAS1R1CYP1A2
SCHEMBL21065504 0.88 TYMP (0.47) TYMPKDM4ETAS1R3TAS1R1LMNA
SCHEMBL22034235 0.88 TYMP (0.52) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL21878091 0.88 TYMP (0.52) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL18490587 0.88 TYMP (0.47) TYMPKDM4ETAS1R3TAS1R1LMNA
SCHEMBL18490457 0.88 TYMP (0.47) TYMPKDM4ETAS1R3TAS1R1LMNA
SCHEMBL19254058 0.88 TYMP (0.43) TYMPKDM4ETAS1R3TAS1R1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023250368-A2 ATXN2 RNA INTERFERENCE AGENTS ELI LILLY AND COMPANY (US) 2023-12-28 WO disclosed
WO-2023177972-A1 SARM1 RNA INTERFERENCE AGENTS ELI LILLY AND COMPANY (US) 2023-09-21 WO disclosed
WO-2023114700-A1 MAPT RNA INTERFERENCE AGENTS ELI LILLY AND COMPANY (US) 2023-06-22 WO disclosed
EP-3865576-A1 LIGAND-MODIFIED DOUBLE-STRANDED NUCLEIC ACIDS Dicerna Pharmaceuticals, Inc. (US) 2021-08-18 EP disclosed
EP-3569711-B1 LIGAND-MODIFIED DOUBLE-STRANDED NUCLEIC ACIDS DICERNA PHARMACEUTICALS INC (US) 2021-02-03 EP disclosed
EP-3569711-A1 LIGAND-MODIFIED DOUBLE-STRANDED NUCLEIC ACIDS Dicerna Pharmaceuticals, Inc. (US) 2019-11-20 EP disclosed
WO-2019200273-A1 NOVEL PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-10-17 WO disclosed