SCHEMBL5074393

SCHEMBL5074393

CCCc1cc(C)c2cc(Oc3c(Cl)cc(C(CC(=O)O)c4cc(Cl)c(Oc5ccc6nc(C)cc(C)c6c5)c(Cl)c4)cc3Cl)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
FFAR1 O14842 1/20 0.35
MCHR1 Q99705 4/20 0.35
OPRL1 P41146 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
PRNP P04156 1/20 0.34

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
SCHEMBL3145897 0.82 THRA (0.52) KDM4EHPGDTHRATHRBFFAR1
SCHEMBL3145340 0.77 THRA (0.55) KDM4EHPGDHSD17B10ALDH1A1CYP1A2
SCHEMBL3137560 0.72 THRA (0.46) KDM4EHPGDHSD17B10ALDH1A1CYP1A2
SCHEMBL3145813 0.72 THRA (0.52) KDM4EHPGDTHRATHRBFFAR1
SCHEMBL3138058 0.72 THRA (0.41) KDM4EHPGDALDH1A1THRATHRB
SCHEMBL5073565 0.70 KDM4E (0.38) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL3137511 0.70 THRA (0.52) THRATHRBMCHR1
SCHEMBL5077530 0.70 THRA (0.38) THRATHRB
SCHEMBL3138206 0.69 THRB (0.42) THRATHRB
SCHEMBL3140915 0.69 THRA (0.38) KDM4ETHRATHRBFFAR1

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-1899309-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2008-03-19 EP disclosed
WO-2007003419-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2007-01-11 WO disclosed