SCHEMBL8102780

SCHEMBL8102780

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.54
PAX8 Q06710 1/20 0.54
HKDC1 Q2TB90 1/20 0.54
TLR9 Q9NR96 1/20 0.54
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SOAT1 P35610 3/20 0.44
PTPRC P08575 2/20 0.44
CETP P11597 1/20 0.44
GAA P10253 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 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
SCHEMBL8092897 0.92 TDP2 (0.64) TDP2PAX8HKDC1TLR9MAPK1
SCHEMBL8092614 0.86 MAPT (0.56) TDP2PAX8HKDC1TLR9MAPK1
SCHEMBL8102968 0.83 ALDH1A1 (0.42) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8100892 0.81 TDP2 (0.59) TDP2PAX8HKDC1TLR9ALOX15
SCHEMBL8102479 0.81 TDP2 (0.59) TDP2PAX8HKDC1TLR9ALOX15
SCHEMBL8102981 0.80 TDP2 (0.50) TDP2PAX8HKDC1TLR9ALOX15
SCHEMBL8108719 0.80 GAA (0.41) GAARAB9ANPC1KMT2AKDM4E
SCHEMBL8102275 0.80 TDP2 (0.56) TDP2PAX8HKDC1TLR9ALOX15
SCHEMBL8665336 0.80 TDP2 (0.58) TDP2PAX8HKDC1TLR9ALOX15
SCHEMBL8102148 0.80 TDP2 (0.52) TDP2PAX8HKDC1TLR9ALOX15

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