SCHEMBL7430490

SCHEMBL7430490

CCOC(=O)C(C(=O)c1ccc(C#N)cc1)C1c2ccccc2Oc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ELANE P08246 1/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 4/20 0.38
CYP1A2 P05177 2/20 0.38
CHRM2 P08172 2/20 0.38
CYP2D6 P10635 2/20 0.38
CHRM1 P11229 2/20 0.38
KCNH2 Q12809 2/20 0.38
LMNA P02545 2/20 0.38
GSK3B P49841 1/20 0.38
CTSG P08311 2/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 2/20 0.38
NPC1 O15118 1/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL28431266 0.87 SMN1; SMN2 (0.47) POLBMAPTKMT2ACYP1A2CHRM2
SCHEMBL7435872 0.85 POLB (0.44) POLBMAPTKMT2ACYP1A2CHRM2
SCHEMBL7439007 0.84 ELANE (0.41) ELANEMAPTKMT2ALMNAGSK3B
SCHEMBL7446353 0.83 GSK3B (0.43) KMT2ACYP1A2CYP2D6LMNAGSK3B
SCHEMBL28430986 0.82 POLB (0.53) POLBMAPTKMT2ACYP1A2CHRM2
SCHEMBL5552878 0.78 POLB (0.50) POLBMAPTKMT2ACYP1A2CHRM2
SCHEMBL7435421 0.75 POLB (0.40) POLBMAPTKMT2ACYP1A2CHRM2
SCHEMBL7435972 0.75 HTR2A (0.42) POLBMAPTKMT2ACYP1A2CHRM2
SCHEMBL7392784 0.73 POLB (0.39) POLBMAPTKMT2ACYP1A2CHRM2
SCHEMBL8387279 0.72 ELANE (0.35) ELANEMAPTKMT2ALMNACTSG

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-5891899-A Pharmaceutical xanthene compounds ELI LILLY AND COMPANY LIMITED (GB) 1999-04-06 US disclosed
EP-0849263-A2 Pharmaceutical substituted propanoic acid derivatives ELI LILLY AND COMPANY LIMITED (GB) 1998-06-24 EP disclosed