SCHEMBL14540985

SCHEMBL14540985

COC(=O)CC(F)Cc1cc(Br)c(O)c(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PTPN1 P18031 2/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
PPARG P37231 1/20 0.34
ESR1 P03372 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
FOLH1 Q04609 1/20 0.34
POLB P06746 1/20 0.34
TTR P02766 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
GFER P55789 1/20 0.32

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
SCHEMBL14540741 0.80 FOLH1 (0.41) TRPV1PTPN1THRATHRBPPARG
SCHEMBL3137725 0.80 FOLH1 (0.41) TRPV1PTPN1THRATHRBPPARG
SCHEMBL2786552 0.75 HSP90AB1 (0.63) TRPV1HSP90AB1PTPN1THRATHRB
SCHEMBL5077496 0.74 PDK2 (0.41) TRPV1THRATHRBMEN1KMT2A
SCHEMBL3137118 0.73 FOLH1 (0.44) TRPV1HSP90AB1PTPN1ESR1MEN1
SCHEMBL3911299 0.73 FOLH1 (0.41) TRPV1PTPN1THRATHRBPPARG
SCHEMBL2164006 0.73 FOLH1 (0.41) TRPV1PTPN1THRATHRBPPARG
SCHEMBL3130670 0.72 TRPV1 (0.44) TRPV1HSP90AB1PTPN1THRATHRB
SCHEMBL4817111 0.72 FOLH1 (0.40) TRPV1PTPN1THRATHRBPPARG
SCHEMBL18822126 0.72 THRB (0.47) TRPV1THRATHRBPPARGESR1

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
WO-2007039125-A2 AN OPTICALLY ACTIVE THYROID RECEPTOR AGONIST AND OPTICALLY ACTIVE KEY INTERMEDIATES IN ITS PRODUCTION KARO BIO AB (SE) 2007-04-12 WO disclosed