SCHEMBL7439007

SCHEMBL7439007

CCOC(=O)C(C(=O)c1ccc(C#N)cc1)C1c2ccccc2Sc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
KMT2A Q03164 3/20 0.38
GSK3B P49841 1/20 0.38
CTSG P08311 4/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SLC6A3 Q01959 1/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
BCHE P06276 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CMA1 P23946 3/20 0.37
MEN1 O00255 2/20 0.35
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PABPC1 P11940 1/20 0.35
APOBEC3A P31941 1/20 0.35
EIF4H Q15056 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
PRSS1 P07477 1/20 0.35

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
SCHEMBL8387279 0.86 ELANE (0.35) ELANEKMT2ACTSGALDH1A1SMN1; SMN2
SCHEMBL7430490 0.84 POLB (0.41) ELANEKMT2AGSK3BCTSGALDH1A1
SCHEMBL7436707 0.83 GSK3B (0.43) KMT2AGSK3BCTSGALDH1A1LMNA
SCHEMBL7431986 0.73 HDAC3 (0.39) KMT2AALDH1A1LMNAMAPTBCHE
SCHEMBL7394411 0.73 BCHE (0.35) KMT2AALDH1A1SMN1; SMN2BCHEKDM4E
SCHEMBL10275760 0.72 GSK3B (0.53) ELANEKMT2AGSK3BALDH1A1SMN1; SMN2
SCHEMBL14750335 0.72 BCHE (0.43) KMT2AALDH1A1LMNAMAPTBCHE
SCHEMBL9246765 0.72 BCHE (0.47) KMT2AALDH1A1LMNAMAPTBCHE
Hydrochloric Acid SCHEMBL9244137 0.71 BCHE (0.46) KMT2AALDH1A1LMNAMAPTBCHE
SCHEMBL28431266 0.70 SMN1; SMN2 (0.47) KMT2AALDH1A1SMN1; SMN2LMNAMAPT

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