SCHEMBL8093121

SCHEMBL8093121

CC#CCC1=C(NC(=O)CCCC)C(=O)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.51
PAX8 Q06710 1/20 0.51
HKDC1 Q2TB90 1/20 0.51
TLR9 Q9NR96 1/20 0.51
RAB9A P51151 3/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 1/20 0.42
PTPRC P08575 2/20 0.41
SOAT1 P35610 2/20 0.41
CETP P11597 1/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TERT O14746 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 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
SCHEMBL8108582 0.93 TDP2 (0.60) TDP2PAX8HKDC1TLR9RAB9A
SCHEMBL8668093 0.87 RAB9A (0.55) TDP2PAX8HKDC1TLR9RAB9A
SCHEMBL8102581 0.86 TDP2 (0.52) TDP2PAX8HKDC1TLR9RAB9A
SCHEMBL8093105 0.85 ALDH1A1 (0.40) TDP2PAX8HKDC1TLR9TSHR
SCHEMBL8665336 0.84 TDP2 (0.58) TDP2PAX8HKDC1TLR9RAB9A
SCHEMBL8092735 0.83 TDP2 (0.57) TDP2PAX8HKDC1TLR9RAB9A
SCHEMBL8108533 0.83 TDP2 (0.57) TDP2PAX8HKDC1TLR9RAB9A
SCHEMBL8092977 0.82 GAA (0.40) RAB9AGAANPC1KMT2AALDH1A1
SCHEMBL8106728 0.82 TDP2 (0.56) TDP2PAX8HKDC1TLR9RAB9A
SCHEMBL8100724 0.82 HSP90AA1 (0.54) RAB9AGAANPC1MEN1KMT2A

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