SCHEMBL9814064

SCHEMBL9814064

CCCCCCCc1c(O)ccc(C(C)=O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.49
KAT8 Q9H7Z6 2/20 0.48
PPARA Q07869 2/20 0.48
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYSLTR2 Q9NS75 7/20 0.43
CYSLTR1 Q9Y271 7/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
PPARG P37231 1/20 0.42
BLM P54132 1/20 0.42
PPARD Q03181 1/20 0.42
GRM2 Q14416 1/20 0.42
ALOX5 P09917 2/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 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
SCHEMBL9814053 1.00 TYR (0.49) TYRKAT8PPARACYP1A2CYP2C9
SCHEMBL9814051 1.00 TYR (0.49) TYRKAT8PPARACYP1A2CYP2C9
SCHEMBL9121697 0.98 CYP1A2 (0.47) TYRKAT8PPARACYP1A2CYP2C9
SCHEMBL10975179 0.93 CYP1A2 (0.48) PPARACYP1A2CYP2C9ALDH1A1CYP2D6
SCHEMBL8968774 0.89 TYR (0.50) TYRKAT8PPARAPPARGALOX5
SCHEMBL30736074 0.86 CYP1A2 (0.50) PPARACYP1A2CYP2C9ALDH1A1CYP2D6
SCHEMBL480388 0.86 CYP1A2 (0.50) PPARACYP1A2CYP2C9ALDH1A1CYP2D6
SCHEMBL27375877 0.84 TYR (0.45) TYRKAT8PPARAALDH1A1LMNA
SCHEMBL7041417 0.82 CYP1A2 (0.47) PPARACYP1A2CYP2C9ALDH1A1CYP2D6
SCHEMBL31402502 0.82 KAT8 (0.47) TYRKAT8PPARAPPARGALOX5

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-0295882-B1 PROCESS FOR INTERMEDIATES TO LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1991-08-21 EP disclosed
EP-0295882-A1 Process for intermediates to leukotriene antagonists ELI LILLY AND COMPANY (US) 1988-12-21 EP disclosed
US-4777299-A Process for leukotriene antagonists ELI LILLY AND COMPANY (US) 1988-10-11 US disclosed