SCHEMBL8102495

SCHEMBL8102495

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.46
PAX8 Q06710 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
TLR9 Q9NR96 1/20 0.46
MAPT P10636 4/20 0.43
HSP90AA1 P07900 5/20 0.42
HSP90AB1 P08238 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
MITF O75030 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
APAF1 O14727 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL8092990 0.92 TDP2 (0.44) TDP2PAX8HKDC1TLR9MAPT
SCHEMBL8093156 0.90 PTPN1 (0.46) TDP2PAX8HKDC1TLR9MAPT
SCHEMBL8108465 0.89 PTPN1 (0.48) TDP2PAX8HKDC1TLR9MAPT
SCHEMBL8106236 0.88 FGFR1 (0.50) TDP2PAX8HKDC1TLR9MAPT
SCHEMBL8092681 0.87 DHODH (0.52) TDP2PAX8HKDC1TLR9MAPT
SCHEMBL8102106 0.85 HSP90AA1 (0.58) TDP2PAX8HKDC1TLR9MAPT
SCHEMBL8100385 0.85 MAPT (0.50) TDP2PAX8HKDC1TLR9MAPT
SCHEMBL8102913 0.85 DHODH (0.43) TDP2PAX8HKDC1TLR9MAPT
SCHEMBL8108729 0.84 HSP90AA1 (0.43) TDP2PAX8HKDC1TLR9MAPT
SCHEMBL8102702 0.84 MAPT (0.57) TDP2PAX8HKDC1TLR9MAPT

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