SCHEMBL6996919

SCHEMBL6996919

CC(C)(C)OC(=O)N1[C]=CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.44
MAPK1 P28482 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
GPR119 Q8TDV5 1/20 0.39
NAMPT P43490 3/20 0.39
KDM1A O60341 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37
POLB P06746 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 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
SCHEMBL3459528 0.75 BCHE (0.48) BCHEMAPK1HDAC1HDAC6GPR119
SCHEMBL5670700 0.72 BCHE (0.46) BCHEMAPK1HDAC1HDAC6GPR119
SCHEMBL29479856 0.71 BCHE (0.62) BCHEMAPK1GPR119NAMPTKDM1A
SCHEMBL507146 0.69 NR1H2 (0.61) MAPK1GPR119NAMPTCHRM2CHRM4
SCHEMBL17276765 0.69 CKS1B (0.55) BCHEGPR119NAMPTMEN1KMT2A
SCHEMBL30900483 0.69 NOTUM (0.61) KDM1AMEN1KMT2APOLB
SCHEMBL552069 0.69 NOTUM (0.61) KDM1AMEN1KMT2APOLB
SCHEMBL14587287 0.69 KDM1A (0.46) BCHEMAPK1HDAC1HDAC6GPR119
SCHEMBL6204851 0.68 MAPK1 (0.52) BCHEMAPK1HDAC1GPR119NAMPT
SCHEMBL5183098 0.68 MAPK1 (0.64) MAPK1HDAC1GPR119NAMPT

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
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP claimed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO claimed