SCHEMBL6878426

SCHEMBL6878426

COC1O[C@H](C)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR1 P30872 1/20 0.52
SSTR2 P30874 1/20 0.52
SSTR4 P31391 1/20 0.52
SSTR3 P32745 1/20 0.52
SSTR5 P35346 1/20 0.52
BCHE P06276 1/20 0.49
PTPN2 P17706 2/20 0.41
PTPN1 P18031 2/20 0.41
PDPK1 O15530 1/20 0.41
MTOR P42345 1/20 0.41
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
GJB2 P29033 1/20 0.38
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38
LGALS8 O00214 1/20 0.38

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
SCHEMBL6878433 1.00 SSTR1 (0.52) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL20107395 0.98 SSTR1 (0.54) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL26836008 0.98 SSTR1 (0.54) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL18573699 0.98 SSTR1 (0.54) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL7152150 0.98 SSTR1 (0.54) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL25362771 0.98 SSTR1 (0.54) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL8401248 0.97 SSTR1 (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL17368105 0.91 BCHE (0.50) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL8401405 0.90 SSTR1 (0.48) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL7775231 0.89 PDPK1 (0.45) SSTR1SSTR2SSTR4SSTR3SSTR5

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-0832091-B1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR INC (US) 2004-01-14 EP disclosed
US-5763596-A PYROLO PYRIMIDINE AND PYRAZOLO PYRIMIDINE COMPOUMDS; TREATMENT OF CARDIOVASCULAR AND BRAIN DISORDERS, ANTIINFLAMMATORY AGENTS METABASIS THERAPEUTICS, INC. (US) 1998-06-09 US disclosed
US-5674998-A FOR TREATING CARDIOVASCULAR OR BRAIN DISORDERS, OR AS ANTIINFLAMMATORY AGENT GENSIA INC. (US) 1997-10-07 US disclosed