SCHEMBL8092553

SCHEMBL8092553

CCCC(=O)NC1=C(c2ccc(CC)cc2)c2ccccc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.61
PAX8 Q06710 1/20 0.61
HKDC1 Q2TB90 1/20 0.61
TLR9 Q9NR96 1/20 0.61
PTPRC P08575 2/20 0.50
HSP90AA1 P07900 8/20 0.48
HSP90AB1 P08238 8/20 0.48
TP53 P04637 1/20 0.44
EGFR P00533 1/20 0.44
NAT1 P18440 1/20 0.44
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
GSK3B P49841 2/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL8102104 0.92 TDP2 (0.52) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8665999 0.91 MAPT (0.52) TDP2PAX8HKDC1TLR9HSP90AA1
SCHEMBL8102319 0.89 TDP2 (0.68) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8667027 0.86 HSP90AA1 (0.65) TDP2PAX8HKDC1TLR9HSP90AA1
SCHEMBL8664759 0.85 HSP90AA1 (0.49) TDP2PAX8HKDC1TLR9HSP90AA1
SCHEMBL8106589 0.85 TDP2 (0.66) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8102673 0.81 HSP90AA1 (0.57) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8100343 0.79 HSP90AA1 (0.61) TDP2PAX8HKDC1TLR9HSP90AA1
SCHEMBL8666905 0.79 TDP2 (0.69) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8106255 0.77 TDP2 (0.71) TDP2PAX8HKDC1TLR9PTPRC

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