SCHEMBL8108751

SCHEMBL8108751

CCCCC(=O)NC1=C(c2ccccc2CC)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.56
PAX8 Q06710 1/20 0.56
HKDC1 Q2TB90 1/20 0.56
TLR9 Q9NR96 1/20 0.56
PTPRC P08575 2/20 0.45
SOAT1 P35610 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
CETP P11597 1/20 0.45
GAA P10253 2/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL8106589 0.92 TDP2 (0.66) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8102673 0.88 HSP90AA1 (0.57) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8092798 0.86 MAPT (0.57) TDP2PAX8HKDC1TLR9GAA
SCHEMBL8102104 0.86 TDP2 (0.52) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8102479 0.85 TDP2 (0.59) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8665336 0.83 TDP2 (0.58) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8100892 0.82 TDP2 (0.59) TDP2PAX8HKDC1TLR9PTPRC
SCHEMBL8665166 0.81 HSP90AA1 (0.48) TDP2PAX8HKDC1TLR9GAA
SCHEMBL8108755 0.81 HSP90AA1 (0.63) TDP2PAX8HKDC1TLR9GAA
SCHEMBL8092735 0.80 TDP2 (0.57) 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