SCHEMBL6291971

SCHEMBL6291971

CCOc1cc(OCC)c2c(c1)C(=O)NC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.44
CDK4 P11802 2/20 0.44
CCND1 P24385 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CDK2 P24941 2/20 0.40
CCNA2 P20248 1/20 0.40
CCNA1 P78396 1/20 0.40
MAPT P10636 4/20 0.39
POLB P06746 1/20 0.39
MAOA P21397 5/20 0.39
MAOB P27338 5/20 0.39
KDM4E B2RXH2 1/20 0.37
CHEK1 O14757 1/20 0.37
WEE1 P30291 1/20 0.37
ALDH1A1 P00352 2/20 0.37
PLIN1 O60240 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
PLIN5 Q00G26 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
SCHEMBL11411139 0.77 MAOA (0.61) MEN1KMT2AMAPTMAOAMAOB
SCHEMBL7399139 0.75 DDB1 (0.46) GSK3BMEN1KMT2ACDK2MAPT
SCHEMBL1355673 0.74 MEN1 (0.44) GSK3BCDK4CCND1MEN1KMT2A
SCHEMBL7413975 0.74 ALDH1A1 (0.59) GSK3BCDK4CCND1CDK2CCNA2
Water SCHEMBL8678456 0.73 DDB1 (0.45) GSK3BMEN1KMT2ACDK2MAPT
SCHEMBL9240983 0.73 MAOA (0.47) GSK3BMEN1KMT2APOLBMAOA
SCHEMBL16226995 0.71 TTR (0.51) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL9246020 0.70 MAOA (0.50) GSK3BMEN1KMT2APOLBMAOA
SCHEMBL7288175 0.70 ELANE (0.40) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL5747221 0.69 NPSR1 (0.55) MEN1KMT2AMAPTMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900194-B1 Use of substituted 4-biarylbutyric and 5-biarylpentanoic acid derivatives as matrix metalloprotease inhibitors for the treatment of respiratory diseases BAYER AKTIENGESELLSCHAFT (DE) 2005-05-31 US disclosed