SCHEMBL8102836

SCHEMBL8102836

CC(=O)NC1=C(CCC(C)C)c2ccccc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.55
HSP90AB1 P08238 9/20 0.55
DHODH Q02127 1/20 0.54
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ATM Q13315 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MCL1 Q07820 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
S100A4 P26447 1/20 0.45
MAOA P21397 2/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL8102043 0.92 HSP90AA1 (0.52) HSP90AA1HSP90AB1DHODHRAB9AMEN1
SCHEMBL8092681 0.87 DHODH (0.52) HSP90AA1HSP90AB1DHODHRAB9AMEN1
SCHEMBL8106294 0.86 MAPT (0.56) HSP90AA1HSP90AB1DHODHRAB9AMEN1
SCHEMBL8092806 0.85 HSP90AA1 (0.58) HSP90AA1HSP90AB1RAB9AMEN1KMT2A
SCHEMBL8102106 0.85 HSP90AA1 (0.58) HSP90AA1HSP90AB1RAB9AMEN1KMT2A
SCHEMBL8092948 0.83 TDP2 (0.61) DHODHRAB9AMEN1KMT2AGAA
SCHEMBL8108853 0.82 HSP90AA1 (0.55) HSP90AA1HSP90AB1RAB9AMEN1KMT2A
SCHEMBL8092987 0.81 HSP90AA1 (0.61) HSP90AA1HSP90AB1RAB9AMEN1KMT2A
SCHEMBL8092932 0.81 TDP2 (0.52) DHODHRAB9AMEN1KMT2AGAA
SCHEMBL8108866 0.81 HSP90AA1 (0.54) HSP90AA1HSP90AB1RAB9AMEN1KMT2A

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
US-6013674-A INDENONE AMIDE DERIVATIVES, USEFUL FOR FOR THE INHIBITION OF LEUKOCYTE ADHERENCE TO ENDOTHELIAL CELLS; USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES, AS ARTHRITIS, ASTHAMA, PSORIASIS, RESPIRATORY DISTRESS SYNDROME, STROKE AND ULCER ELI LILLY AND COMPANY (US) 2000-01-11 US disclosed
EP-0882706-A1 Cell adhesion inhibitors ELI LILLY AND COMPANY (US) 1998-12-09 EP disclosed