SCHEMBL8108597

SCHEMBL8108597

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

nearest known ligand 0.61

Predicted protein targets (top 20)

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
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TERT O14746 2/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 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
SCHEMBL8102148 0.92 TDP2 (0.52) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8092608 0.91 RAB9A (0.55) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8106524 0.85 HSP90AA1 (0.54) TDP2PAX8HKDC1TLR9RAB9A
SCHEMBL8666905 0.85 TDP2 (0.69) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8102712 0.83 TDP2 (0.68) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8102266 0.83 HSP90AA1 (0.41) TDP2PAX8HKDC1TLR9RAB9A
SCHEMBL8092507 0.81 TDP2 (0.64) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8102023 0.81 TDP2 (0.64) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8102986 0.80 TDP2 (0.63) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8108820 0.80 TDP2 (0.59) 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