SCHEMBL8108729

SCHEMBL8108729

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.43
HSP90AB1 P08238 6/20 0.43
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
MDM4 O15151 2/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP2 O95551 1/20 0.40
PAX8 Q06710 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
TLR9 Q9NR96 1/20 0.40
MDM2 Q00987 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CETP P11597 1/20 0.40

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
SCHEMBL8092806 0.86 HSP90AA1 (0.58) HSP90AA1HSP90AB1FGFR1FGFR2FGFR4
SCHEMBL8106236 0.86 FGFR1 (0.50) HSP90AA1HSP90AB1FGFR1FGFR2FGFR4
SCHEMBL8102913 0.86 DHODH (0.43) HSP90AA1HSP90AB1MDM4TP53MAPT
SCHEMBL8092681 0.85 DHODH (0.52) HSP90AA1HSP90AB1FGFR1FGFR2FGFR4
SCHEMBL8102495 0.84 TDP2 (0.46) HSP90AA1HSP90AB1FGFR1FGFR2FGFR4
SCHEMBL8108454 0.84 MAPT (0.59) HSP90AA1HSP90AB1FGFR1FGFR2FGFR4
SCHEMBL8092990 0.81 TDP2 (0.44) HSP90AA1HSP90AB1FGFR1FGFR2FGFR4
SCHEMBL8102023 0.81 TDP2 (0.64) FGFR1FGFR2FGFR4FGFR3MAPT
SCHEMBL8102464 0.81 MAOA (0.43) HSP90AA1HSP90AB1FGFR1FGFR2FGFR4
SCHEMBL8100385 0.80 MAPT (0.50) HSP90AA1HSP90AB1MDM4TP53MAPT

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