SCHEMBL8360840

SCHEMBL8360840

CCCCCCCCOc1ccc(OCCCCCCCC)c(NC(=O)COC)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
NPSR1 Q6W5P4 1/20 0.60
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 2/20 0.46
PLA2G4B P0C869 2/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
SMPD1 P17405 3/20 0.45

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
SCHEMBL7517447 0.90 KMT2A (0.50) KMT2ANPSR1ALDH1A1MEN1PLA2G4B
SCHEMBL7084282 0.86 ALDH1A1 (0.47) KMT2AALDH1A1GAATDP1L3MBTL1
SCHEMBL8484560 0.84 EPHX1 (0.52) SMN1; SMN2TSHRSMPD1
SCHEMBL11582978 0.84 EPHX1 (0.52) SMN1; SMN2TSHRSMPD1
SCHEMBL14338674 0.80 HDAC3 (0.55) KMT2AALDH1A1HTT
SCHEMBL10964092 0.77 L3MBTL1 (0.65) KMT2AALDH1A1GAATDP1L3MBTL1
SCHEMBL7514252 0.76 THRA (0.62) KMT2AALDH1A1MEN1PLA2G4BTSHR
SCHEMBL14338703 0.76 HDAC3 (0.53) KMT2AL3MBTL1MEN1SMPD1
SCHEMBL11343325 0.75 TSHR (0.58) KMT2ANPSR1ALDH1A1SMN1; SMN2GAA
SCHEMBL2095923 0.75 PLK1 (0.50) KMT2AGAAMEN1TSHR

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
JP-11116544-A None JP disclosed
JP-H11116544-A DIAZONIUM SALT AND THERMAL RECORDING MATERIAL CONTAINING THE SAME FUJI PHOTO FILM CO LTD 1999-04-27 JP disclosed