SCHEMBL8102266

SCHEMBL8102266

CC=CCC1=C(NC(=O)C(C)C)C(=O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.41
HSP90AB1 P08238 7/20 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
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38
MDM4 O15151 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MDM2 Q00987 1/20 0.37

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
SCHEMBL8106524 0.86 HSP90AA1 (0.54) HSP90AA1HSP90AB1TDP2PAX8HKDC1
SCHEMBL8092608 0.84 RAB9A (0.55) HSP90AA1HSP90AB1TDP2PAX8HKDC1
SCHEMBL8108597 0.83 TDP2 (0.61) TDP2PAX8HKDC1TLR9FGFR1
SCHEMBL8106236 0.81 FGFR1 (0.50) HSP90AA1HSP90AB1TDP2PAX8HKDC1
SCHEMBL8102148 0.81 TDP2 (0.52) TDP2PAX8HKDC1TLR9MAPT
SCHEMBL8108729 0.80 HSP90AA1 (0.43) HSP90AA1HSP90AB1TDP2PAX8HKDC1
SCHEMBL8102495 0.79 TDP2 (0.46) HSP90AA1HSP90AB1TDP2PAX8HKDC1
SCHEMBL8092681 0.78 DHODH (0.52) HSP90AA1HSP90AB1TDP2PAX8HKDC1
SCHEMBL8100303 0.77 HSP90AA1 (0.39) HSP90AA1HSP90AB1TDP2PAX8HKDC1
SCHEMBL8106214 0.77 ALDH1A1 (0.36) HSP90AA1HSP90AB1TDP2PAX8HKDC1

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