SCHEMBL8666019

SCHEMBL8666019

CCCCC(=O)NC1=C(C(I)C(C)CC)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.50
PAX8 Q06710 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
TLR9 Q9NR96 1/20 0.50
MAPT P10636 1/20 0.42
PTPRC P08575 2/20 0.41
SOAT1 P35610 2/20 0.41
GAA P10253 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 2/20 0.40
CETP P11597 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 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
SCHEMBL8103069 0.93 TDP2 (0.59) TDP2PAX8HKDC1TLR9MAPT
SCHEMBL8665616 0.88 MAPT (0.54) TDP2PAX8HKDC1TLR9MAPT
SCHEMBL8669699 0.86 TDP2 (0.53) TDP2PAX8HKDC1TLR9MAPT
SCHEMBL8664901 0.86 TDP2 (0.50) TDP2PAX8HKDC1TLR9MAPT
SCHEMBL8092511 0.85 TDP2 (0.57) TDP2PAX8HKDC1TLR9MAPT
SCHEMBL8666088 0.84 HSP90AA1 (0.51) TDP2PAX8HKDC1TLR9MAPT
SCHEMBL8102275 0.84 TDP2 (0.56) TDP2PAX8HKDC1TLR9MAPT
SCHEMBL8669717 0.83 MAPT (0.40) TDP2PAX8HKDC1TLR9MAPT
SCHEMBL8667425 0.80 TDP2 (0.52) TDP2PAX8HKDC1TLR9MAPT
SCHEMBL8667530 0.80 TDP2 (0.51) 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 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