SCHEMBL8956129

SCHEMBL8956129

CCCCCOc1cc(OC)cc(OCCCCO)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.53
CNR1 P21554 12/20 0.53
PLA2G2A P14555 2/20 0.53
AHR P35869 1/20 0.50
BLM P54132 1/20 0.46
NR5A1 Q13285 1/20 0.46
PTGS2 P35354 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8955830 0.90 CNR1 (0.47) CNR2CNR1PLA2G2AAHR
SCHEMBL14848719 0.90 AHR (0.58) CNR2CNR1PLA2G2AAHRBLM
SCHEMBL28360552 0.88 PLA2G2A (0.59) CNR2CNR1PLA2G2AAHRBLM
SCHEMBL20340540 0.86 ALDH1A1 (0.50) CNR2CNR1PLA2G2AAHR
SCHEMBL8956013 0.85 TP53 (0.54) CNR2CNR1PLA2G2ABLMNR5A1
SCHEMBL22839324 0.84 CNR1 (0.56) CNR2CNR1PLA2G2AAHRBLM
SCHEMBL23457915 0.84 AHR (0.65) CNR2CNR1PLA2G2AAHRNR5A1
SCHEMBL26976511 0.84 AHR (0.65) CNR2CNR1PLA2G2AAHRNR5A1
SCHEMBL9698424 0.84 PTGS2 (0.60) CNR2CNR1PLA2G2ANR5A1PTGS2
SCHEMBL11802654 0.84 PTGS2 (0.60) CNR2CNR1PLA2G2ANR5A1PTGS2

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
US-5516767-A PRODRUG AS HYPOGLYCEMIC AGENT SANDOZ LTD. (CH) 1996-05-14 US disclosed
US-5412137-A Hypoglycemic agents SANDOZ LTD. (CH) 1995-05-02 US disclosed