SCHEMBL8102448

SCHEMBL8102448

CC1=C(NC(=O)C(C)C)C(=O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.47
HSP90AB1 P08238 7/20 0.47
MDM4 O15151 2/20 0.46
TP53 P04637 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 6/20 0.45
MAPT P10636 4/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MDM2 Q00987 1/20 0.44
CETP P11597 1/20 0.44
HTT P42858 3/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP2 O95551 1/20 0.41
PAX8 Q06710 1/20 0.41

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
SCHEMBL8106472 0.83 DHODH (0.49) HSP90AA1HSP90AB1MDM4TP53MEN1
SCHEMBL8093017 0.82 HSP90AA1 (0.67) HSP90AA1HSP90AB1TP53MEN1KMT2A
SCHEMBL8100811 0.81 HSP90AA1 (0.46) HSP90AA1HSP90AB1MDM4TP53MEN1
SCHEMBL8102262 0.80 HSP90AA1 (0.65) HSP90AA1HSP90AB1MEN1KMT2AALDH1A1
SCHEMBL8100399 0.80 HSP90AA1 (0.45) HSP90AA1HSP90AB1MDM4TP53MEN1
SCHEMBL8665166 0.79 HSP90AA1 (0.48) HSP90AA1HSP90AB1MDM4TP53MEN1
SCHEMBL8106236 0.79 FGFR1 (0.50) HSP90AA1HSP90AB1MDM4TP53MEN1
SCHEMBL8108611 0.78 MAPT (0.61) HSP90AA1HSP90AB1MEN1KMT2AALDH1A1
SCHEMBL8102137 0.78 HSP90AA1 (0.44) HSP90AA1HSP90AB1MDM4TP53MEN1
SCHEMBL8092542 0.78 HSP90AA1 (0.43) HSP90AA1HSP90AB1MDM4TP53MEN1

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