SCHEMBL7157992

SCHEMBL7157992

CCOc1cc(-c2ccc(C)cc2)c(OCC)cc1S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.44
MAPT P10636 9/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
POLB P06746 3/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 3/20 0.38
ATM Q13315 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
AGPAT2 O15120 1/20 0.36
GRM5 P41594 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
Nitrogen SCHEMBL11320287 0.97 ADORA3 (0.42) ADORA3MAPTALDH1A1HPGDKDM4E
Nitrogen SCHEMBL11324353 0.95 ADORA3 (0.41) ADORA3MAPTALDH1A1HPGDKDM4E
Nitrogen SCHEMBL10730033 0.90 ADORA3 (0.38) ADORA3MAPTALDH1A1HPGDKDM4E
Nitrogen SCHEMBL10821082 0.87 PTPN11 (0.36) ADORA3MAPTALDH1A1HPGDL3MBTL1
SCHEMBL8988230 0.76 ADORA3 (0.41) ADORA3MAPTALDH1A1HPGDKDM4E
Nitrogen SCHEMBL8776790 0.75 ACHE (0.38) MAPTALDH1A1HPGDKDM4EMEN1
SCHEMBL28264763 0.74 MAPT (0.47) MAPTALDH1A1HPGDKDM4EL3MBTL1
Nitrogen SCHEMBL11313789 0.73 ACHE (0.37) MAPTALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL16604881 0.73 ADORA3 (0.44) ADORA3MAPTALDH1A1HPGDKDM4E
SCHEMBL11040759 0.73 EGFR (0.42) MAPTALDH1A1KDM4EL3MBTL1MAPK1

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-6537722-B2 To produce plates for wet offset printing AFGA-GEVAERT AG (DE) 2003-03-25 US disclosed