SCHEMBL8650436

SCHEMBL8650436

CCc1cc(C=O)c(OCc2ccccc2)c(OCCCCCC(C)(C)C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.40
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
SGMS2 Q8NHU3 1/20 0.33
ERN1 O75460 1/20 0.33

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
SCHEMBL8655273 0.87 HTR1A (0.41) NR1H4MEN1KMT2ASMN1; SMN2SGMS2
SCHEMBL8650410 0.86 NR1H4 (0.41) NR1H4MEN1KMT2ASMN1; SMN2
SCHEMBL8651489 0.85 LMNA (0.40) NR1H4SGMS2
SCHEMBL8650467 0.84 NR1H4 (0.52) NR1H4KMT2ACCNB2CDK1CDK4
SCHEMBL8586496 0.81 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2CCNB2CDK1
SCHEMBL8651929 0.80 KDM4E (0.39) NR1H4MEN1KMT2ASGMS2
SCHEMBL8651785 0.78 MEN1 (0.41) NR1H4MEN1KMT2A
SCHEMBL8995673 0.76 NR1H4 (0.48) NR1H4
SCHEMBL8650341 0.76 NR1H4 (0.54) NR1H4SGMS2
SCHEMBL8651806 0.76 NR1H4 (0.54) NR1H4SGMS2

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-0579412-B1 1,2,4-trioxygenated benzene derivatives useful as a leukotriene antagonists LILLY CO ELI (US) 1998-10-07 EP disclosed
US-5352690-A For asthma, allergies ELI LILLY AND COMPANY (US) 1994-10-04 US disclosed
EP-0579412-A1 1,2,4-trioxygenated benzene derivatives useful as a leukotriene antagonists ELI LILLY AND COMPANY (US) 1994-01-19 EP disclosed