SCHEMBL8108820

SCHEMBL8108820

C=CCCC1=C(NC(=O)CCC)C(=O)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.59
PAX8 Q06710 1/20 0.59
HKDC1 Q2TB90 1/20 0.59
TLR9 Q9NR96 1/20 0.59
PTPRC P08575 2/20 0.48
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.40
TERT O14746 2/20 0.39
HTT P42858 2/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
NSD2 O96028 2/20 0.38

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
SCHEMBL8102981 0.93 TDP2 (0.50) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8106296 0.90 MAPT (0.51) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8102712 0.87 TDP2 (0.68) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8092507 0.84 TDP2 (0.64) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8092821 0.84 HSP90AA1 (0.52) RAB9ANPC1KMT2AMEN1PKM
SCHEMBL8102986 0.83 TDP2 (0.63) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8666905 0.83 TDP2 (0.69) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8100889 0.82 TDP2 (0.61) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8092948 0.82 TDP2 (0.61) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8100303 0.82 HSP90AA1 (0.39) TDP2PAX8HKDC1TLR9RAB9A

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