SCHEMBL6072401

SCHEMBL6072401

CCCCCCCCC(=O)OC1=CC(=O)CC(C)(C)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
PTPN1 P18031 1/20 0.42
NLRP3 Q96P20 1/20 0.41
MEN1 O00255 1/20 0.40
POLM Q9NP87 1/20 0.40
POLK Q9UBT6 1/20 0.40
POLL Q9UGP5 1/20 0.40
POLH Q9Y253 1/20 0.40
CYP19A1 P11511 3/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL6072475 1.00 KMT2A (0.50) KMT2AMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL28585905 0.76 KMT2A (0.39) KMT2ASMN1; SMN2PTPN1POLMPOLK
SCHEMBL10950664 0.72 NPSR1 (0.40) KMT2AALDH1A1SMN1; SMN2POLMPOLK
SCHEMBL11686307 0.71 KMT2A (0.50) KMT2AMAPTALDH1A1SMN1; SMN2PTPN1
SCHEMBL1025347 0.71 KMT2A (0.50) KMT2AMAPTALDH1A1SMN1; SMN2PTPN1
SCHEMBL11685635 0.71 KMT2A (0.50) KMT2AMAPTALDH1A1SMN1; SMN2PTPN1
SCHEMBL1029948 0.69 KMT2A (0.48) KMT2AMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL28084879 0.69 POLM (0.50) KMT2AMAPTSMN1; SMN2POLMPOLK
SCHEMBL25440299 0.68 KMT2A (0.76) KMT2AMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL27802304 0.68 NAAA (0.47) KMT2AMAPTALDH1A1SMN1; SMN2PTPN1

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
WO-2006102986-A1 A USE OF CYCLOHEXANEDIONE DERIVATIVES AS HERBICIDE BAYER CROPSCIENCE AG (DE) 2006-10-05 WO disclosed