SCHEMBL8284752

SCHEMBL8284752

COCCCOc1cc(CO)ccc1N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.42
CCR5 P51681 1/20 0.41
KDM1A O60341 1/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
FGFR1 P11362 1/20 0.40
KDR P35968 1/20 0.40
EPHB4 P54760 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CA P42336 2/20 0.39
ALDH1A1 P00352 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
SCHEMBL12993127 0.85 RAB9A (0.50) RAB9ALMNAMAPK1HDAC3HDAC1
SCHEMBL13433979 0.83 KDM4E (0.47) P2RY12KDM1ARAB9ALMNASMN1; SMN2
SCHEMBL13723948 0.75 GAA (0.54) P2RY12CCR5KDM1ALMNASMN1; SMN2
SCHEMBL20630878 0.75 P2RY12 (0.49) P2RY12KDM1ARAB9ALMNASMN1; SMN2
SCHEMBL12527305 0.74 GAA (0.52) P2RY12CCR5KDM1ALMNASMN1; SMN2
SCHEMBL29521379 0.73 REN (0.48) RAB9ASMN1; SMN2KDM4ENPC1HPGD
SCHEMBL2810242 0.73 REN (0.48) RAB9ASMN1; SMN2KDM4ENPC1HPGD
SCHEMBL3080203 0.73 TSHR (0.44) RAB9ASMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL7952850 0.73 CYP3A4 (0.44) LMNAMAPK1GAAALDH1A1TSHR
SCHEMBL13634469 0.72 MEN1 (0.48) CCR5RAB9ALMNAMAPK1SMN1; SMN2

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-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO disclosed