SCHEMBL9498784

SCHEMBL9498784

CCCc1c(OCC(=N)OCC)ccc(C(C)=O)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 14/20 0.58
CYSLTR1 Q9Y271 14/20 0.58
LMNA P02545 2/20 0.57
PPARG P37231 2/20 0.57
PPARD Q03181 2/20 0.57
PPARA Q07869 2/20 0.57
CYP1A2 P05177 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
NFKB1 P19838 1/20 0.57
BLM P54132 1/20 0.57
MEN1 O00255 1/20 0.55
GLA P06280 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX5 P09917 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
KMT2A Q03164 1/20 0.55

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
Hydrochloric Acid SCHEMBL9498908 0.99 CYSLTR2 (0.57) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL2015635 0.87 PPARG (0.63) CYSLTR2CYSLTR1LMNAPPARGPPARD
Hydrochloric Acid SCHEMBL9545982 0.85 CYSLTR2 (0.62) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL9194187 0.85 CYSLTR2 (0.61) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL5804482 0.83 PPARG (0.58) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL9157243 0.83 CYSLTR2 (0.80) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL9192587 0.82 CYSLTR2 (0.63) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL10685393 0.81 PPARG (0.78) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL11279092 0.80 PPARG (0.69) CYSLTR2CYSLTR1LMNAPPARGPPARD
SCHEMBL9383779 0.79 CYSLTR2 (0.67) CYSLTR2CYSLTR1LMNAPPARGPPARD

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-5270465-A 4(3H)-pteridinone compounds LIPHA, LYONNAISE INDUSTRILLE PHARMACEUTIQUE (FR) 1993-12-14 US disclosed
US-5167949-A Antiallergic LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1992-12-01 US disclosed