SCHEMBL8926182

SCHEMBL8926182

COC(=O)CCn1c(=O)[nH]c2ccc(OCC(C)C)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.48
ALDH1A1 P00352 9/20 0.48
HPGD P15428 7/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
HTT P42858 3/20 0.47
XDH P47989 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 6/20 0.44
GAA P10253 3/20 0.44
GLA P06280 2/20 0.44
LMNA P02545 3/20 0.44
POLB P06746 2/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
P2RY12 Q9H244 1/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43

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
SCHEMBL8126611 0.85 KDM4E (0.59) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL8924469 0.80 KDM4E (0.48) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL8924250 0.73 KCNA5 (0.44) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL7649974 0.70 MAPK10 (0.55) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL7655539 0.69 LMNA (0.47) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL17522756 0.69 MAPT (0.53) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL10084475 0.69 HSD17B10 (0.47) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL8922778 0.68 PARG (0.45) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL31161048 0.68 CA9 (0.55) ALDH1A1KMT2AMEN1XDHPOLB
SCHEMBL31160820 0.68 KMT2A (0.53) KDM4EALDH1A1HPGDKMT2AMEN1

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-5693637-A Bicycle derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1997-12-02 US disclosed