SCHEMBL8108465

SCHEMBL8108465

CCCCCCC1=C(NC(=O)C(C)C)C(=O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
TDP2 O95551 1/20 0.42
PAX8 Q06710 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
TLR9 Q9NR96 1/20 0.42
ELANE P08246 2/20 0.41
CTSG P08311 2/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
SPHK1 Q9NYA1 6/20 0.40
MAPT P10636 1/20 0.40
ASAH1 Q13510 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ADRB2 P07550 1/20 0.39
SOAT1 P35610 2/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL8093156 0.99 PTPN1 (0.46) PTPN1TDP2PAX8HKDC1TLR9
SCHEMBL8092990 0.95 TDP2 (0.44) PTPN1TDP2PAX8HKDC1TLR9
SCHEMBL8102495 0.89 TDP2 (0.46) TDP2PAX8HKDC1TLR9MAPT
SCHEMBL8092562 0.88 MAPT (0.45) PTPN1TDP2PAX8HKDC1TLR9
SCHEMBL8092958 0.86 HSP90AA1 (0.52) PTPN1TDP2PAX8HKDC1TLR9
SCHEMBL8102913 0.85 DHODH (0.43) TDP2PAX8HKDC1TLR9MAPT
SCHEMBL8100694 0.85 RAB9A (0.52) PTPN1TDP2PAX8HKDC1TLR9
SCHEMBL8100385 0.85 MAPT (0.50) TDP2PAX8HKDC1TLR9MAPT
SCHEMBL8108866 0.85 HSP90AA1 (0.54) PTPN1TDP2PAX8HKDC1TLR9
SCHEMBL8100889 0.84 TDP2 (0.61) PTPN1TDP2PAX8HKDC1TLR9

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