SCHEMBL8955830

SCHEMBL8955830

COc1cc(OC)cc(OCCCCCCCCO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.47
CNR2 P34972 7/20 0.47
FFAR1 O14842 1/20 0.47
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
TP53 P04637 2/20 0.46
ALOX15 P16050 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PLA2G2A P14555 1/20 0.44
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
MAPK1 P28482 1/20 0.42
HDAC3 O15379 1/20 0.42
STAT3 P40763 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL20340540 0.91 ALDH1A1 (0.50) CNR1CNR2FFAR1PPARGPPARD
SCHEMBL8956129 0.90 CNR2 (0.53) CNR1CNR2PLA2G2AAHR
Floverine SCHEMBL2109150 0.85 ALDH1A1 (0.52) CNR1CNR2ALDH1A1MAPK1AHR
SCHEMBL1573275 0.85 ALDH1A1 (0.52) CNR1CNR2ALDH1A1MAPK1AHR
SCHEMBL13095985 0.84 TP53 (0.51) CNR1CNR2FFAR1PPARGPPARD
SCHEMBL15519746 0.83 MAPT (0.51) ALDH1A1TSHR
SCHEMBL9688133 0.83 MAPT (0.51) ALDH1A1TSHR
SCHEMBL8755478 0.83 MAPT (0.51) ALDH1A1TSHR
SCHEMBL1006059 0.83 MAPT (0.51) ALDH1A1TSHR
SCHEMBL14831278 0.82 ALDH1A1 (0.41) CNR1CNR2FFAR1PPARGPPARD

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