SCHEMBL8669745

SCHEMBL8669745

CCC(CC)C(Br)C1=C(NC(=O)C(C)C)C(=O)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
TDP2 O95551 1/20 0.39
PAX8 Q06710 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
TLR9 Q9NR96 1/20 0.39
HSP90AA1 P07900 6/20 0.39
HSP90AB1 P08238 6/20 0.39
HTT P42858 2/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
APAF1 O14727 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MDM4 O15151 2/20 0.37
TP53 P04637 2/20 0.37
RAB9A P51151 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL8671316 0.90 MAPT (0.40) MAPTTDP2PAX8HKDC1TLR9
SCHEMBL8667373 0.86 HSP90AA1 (0.52) MAPTTDP2PAX8HKDC1TLR9
SCHEMBL8666822 0.85 MAPT (0.52) MAPTTDP2PAX8HKDC1TLR9
SCHEMBL8108508 0.83 MAPT (0.43) MAPTTDP2PAX8HKDC1TLR9
SCHEMBL8102645 0.83 TDP2 (0.60) MAPTTDP2PAX8HKDC1TLR9
SCHEMBL8667530 0.81 TDP2 (0.51) MAPTTDP2PAX8HKDC1TLR9
SCHEMBL8100811 0.80 HSP90AA1 (0.46) MAPTTDP2PAX8HKDC1TLR9
SCHEMBL8668060 0.79 TDP2 (0.42) MAPTTDP2PAX8HKDC1TLR9
SCHEMBL8669717 0.79 MAPT (0.40) MAPTTDP2PAX8HKDC1TLR9
SCHEMBL8669425 0.77 HSP90AA1 (0.51) MAPTTDP2PAX8HKDC1TLR9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882706-A1 Cell adhesion inhibitors ELI LILLY AND COMPANY (US) 1998-12-09 EP disclosed