SCHEMBL8106472

SCHEMBL8106472

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.49
HSP90AA1 P07900 5/20 0.47
HSP90AB1 P08238 5/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
MDM4 O15151 2/20 0.46
TP53 P04637 2/20 0.46
APAF1 O14727 1/20 0.45
TDP2 O95551 1/20 0.45
ALDH1A1 P00352 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MDM2 Q00987 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CETP P11597 1/20 0.44
P2RX7 Q99572 1/20 0.43

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
SCHEMBL8102448 0.83 HSP90AA1 (0.47) HSP90AA1HSP90AB1MAPTMEN1KMT2A
SCHEMBL8108753 0.82 HSP90AA1 (0.67) DHODHHSP90AA1HSP90AB1MAPTMEN1
SCHEMBL8665166 0.82 HSP90AA1 (0.48) HSP90AA1HSP90AB1MAPTMEN1KMT2A
SCHEMBL8100811 0.81 HSP90AA1 (0.46) HSP90AA1HSP90AB1MAPTMEN1KMT2A
SCHEMBL8100399 0.80 HSP90AA1 (0.45) HSP90AA1HSP90AB1MAPTMEN1KMT2A
SCHEMBL8102262 0.80 HSP90AA1 (0.65) HSP90AA1HSP90AB1MAPTMEN1KMT2A
SCHEMBL8106236 0.79 FGFR1 (0.50) HSP90AA1HSP90AB1MAPTMEN1KMT2A
SCHEMBL8108449 0.78 MAPT (0.65) DHODHHSP90AA1HSP90AB1MAPTMEN1
SCHEMBL8102137 0.78 HSP90AA1 (0.44) HSP90AA1HSP90AB1MAPTMEN1KMT2A
SCHEMBL8092542 0.78 HSP90AA1 (0.43) HSP90AA1HSP90AB1MAPTMEN1KMT2A

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