SCHEMBL6829099

SCHEMBL6829099

C=CC(=O)OCc1ccc(CCCC(O)COC(=O)C=C)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.43
THRA P10827 5/20 0.39
TSHR P16473 5/20 0.39
TGM2 P21980 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPV1 Q8NER1 2/20 0.35
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
CYP3A4 P08684 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL8850716 0.81 THRB (0.46) THRBTHRATSHRMEN1KMT2A
SCHEMBL13806705 0.80 THRB (0.56) THRBTHRATSHRMEN1KMT2A
SCHEMBL17791314 0.80 THRB (0.51) THRBTHRATSHRTGM2MEN1
SCHEMBL10061317 0.78 THRB (0.49) THRBTSHRHCAR2
SCHEMBL2556244 0.78 HCAR2 (0.50) THRBTSHRTGM2MEN1KMT2A
SCHEMBL2427204 0.78 THRB (0.63) THRBTHRATSHRTGM2MEN1
SCHEMBL6829098 0.78 TSHR (0.42) THRBTHRATSHRTGM2MEN1
SCHEMBL10630810 0.78 THRB (0.49) THRBMEN1KMT2AALDH1A1
SCHEMBL2467984 0.77 TSHR (0.53) THRBTSHRMEN1KMT2AALDH1A1
SCHEMBL13783898 0.77 THRB (0.70) THRBTHRATSHRTGM2MEN1

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
US-6743515-B1 DIORGANOPOLYSILOXANES, ORGANOHYDROGENPOLYSILOXANES CONTAINING LESS THAN 20 SIH BONDED HYDROGEN ATOMS AND LESS THAN 12% ARYL GROUPS, ORGANOSILICON COMPOUNDS HAVING EPOXY GROUPS AND HYDROLYZABLE GROUPS AND A HYDROSILYLATION CATALYST WACKER-CHEMIE GMBH (DE) 2004-06-01 US disclosed