SCHEMBL5717815

SCHEMBL5717815

CCNc1cc(Cl)cc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)c1Cl.O=C(O)C=Cc1cc(Br)c(OCc2cc(Cl)cc(NC3CCC3)c2Cl)c(Br)c1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 1/20 0.32
AKR1C3 P42330 4/20 0.32
AKR1C4 P17516 3/20 0.32
AKR1C2 P52895 3/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
AKR1C1 Q04828 1/20 0.31
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL5717812 1.00 DDR1 (0.32) DDR1AKR1C3AKR1C4AKR1C2PDE4A
SCHEMBL5717904 0.97 DDR1 (0.31) DDR1AKR1C3AKR1C4
SCHEMBL5717909 0.97 DDR1 (0.31) DDR1AKR1C3AKR1C4
SCHEMBL5717814 0.89 DDR1 (0.33) DDR1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL4361512 0.87 PDE4A (0.37) DDR1PDE4APDE4BPDE4CPDE4D
SCHEMBL4345980 0.86 KDM4E (0.36) RAB9A
SCHEMBL4345974 0.86 KDM4E (0.36) RAB9A
SCHEMBL5717776 0.84 PDE4A (0.36) DDR1PDE4APDE4BPDE4CPDE4D
SCHEMBL4348405 0.83 SMN1; SMN2 (0.39) DDR1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL4348547 0.82 KDM4E (0.39) AKR1C3AKR1C4MAPTSMN1; SMN2L3MBTL1

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
EP-1732533-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2006-12-20 EP disclosed
WO-2005092317-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2005-10-06 WO disclosed