SCHEMBL9178239

SCHEMBL9178239

CCc1c(CN(C)C)ccc(C(C)=O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 6/20 0.44
CYSLTR1 Q9Y271 6/20 0.44
ALDH1A1 P00352 4/20 0.43
CYP2C9 P11712 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B1 P14061 1/20 0.41
CTSD P07339 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
G6PD P11413 1/20 0.36
PABPC1 P11940 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7974622 0.88 CYSLTR2 (0.47) CYSLTR2CYSLTR1CYP2C9CYP1A2MAPT
SCHEMBL9176938 0.83 CYSLTR2 (0.45) CYSLTR2CYSLTR1ALDH1A1CYP2C9CYP1A2
SCHEMBL9180066 0.80 CYSLTR2 (0.45) CYSLTR2CYSLTR1ALDH1A1CYP2C9CYP1A2
SCHEMBL9179085 0.80 MAPT (0.43) CYSLTR2CYSLTR1ALDH1A1CYP2C9CYP1A2
SCHEMBL2009246 0.75 ALDH1A1 (0.53) CYSLTR2CYSLTR1ALDH1A1CYP2C9CYP1A2
SCHEMBL6683046 0.72 SELL (0.47) ALDH1A1CYP1A2MAPTKDM4EPOLB
SCHEMBL9175493 0.71 HTT (0.40) CYSLTR2CYSLTR1ALDH1A1MAPTTHRB
SCHEMBL288795 0.70 ERN1 (0.40) CYSLTR2CYSLTR1ALDH1A1HSD17B1CTSD
SCHEMBL9178362 0.70 CTSD (0.46) CYSLTR2CYSLTR1ALDH1A1CTSDMEN1
SCHEMBL28124605 0.69 ALDH1A1 (0.48) ALDH1A1CYP2C9CYP1A2CYP2D6CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5393768-A Treating hypersensitivity reactions such as asthma ELI LILLY AND COMPANY (US) 1995-02-28 US disclosed
US-5105017-A Antiallergens ELI LILLY AND COMPANY (US) 1992-04-14 US disclosed
EP-0132366-B1 LEUKOTRIENE ANTAGONISTS ELI LILLY AND COMPANY (US) 1990-01-03 EP disclosed
EP-0132366-A2 Leukotriene antagonists ELI LILLY AND COMPANY (US) 1985-01-30 EP disclosed