SCHEMBL12515629

SCHEMBL12515629

COc1ccc(C(OCC2CCC(n3cnc4c(=O)[nH]cnc43)O2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TYMP P19971 12/20 0.68
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
ALB P02768 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP1A2 P05177 1/20 0.38
GSK3A P49840 1/20 0.37
RPS6KA3 P51812 1/20 0.37
MAPK14 Q16539 1/20 0.37
BCHE P06276 1/20 0.37
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
P2RX3 P56373 1/20 0.36

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
SCHEMBL15489089 0.88 TYMP (0.53) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL21431111 0.88 TYMP (0.53) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL12067762 0.85 BCHE (0.49) TYMPALDH1A1MAPK1BCHE
SCHEMBL29673058 0.85 TYMP (0.87) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL18486353 0.85 TYMP (0.87) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL1697166 0.84 HPGD (0.50) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL20028665 0.83 TYMP (0.49) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL15488819 0.83 TYMP (0.51) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL22458596 0.83 TYMP (0.56) TYMPCYP1A2BCHE
SCHEMBL23641899 0.83 TYMP (0.60) TYMPALDH1A1LMNAALBMAPK1

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-3658565-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-11-09 EP disclosed
WO-2019023459-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-31 WO disclosed
WO-2011084345-A1 A METHOD FOR RAPIDLY EVALUATING PERFORMANCE OF SHORT INTERFERING RNA WITH NOVEL CHEMICAL MODIFICATIONS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed