SCHEMBL28875657

SCHEMBL28875657

CCCCCCCCCC(=O)OCCOc1ccc(C(=O)CCCCCCCCC)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.66
THRA P10827 3/20 0.63
THRB P10828 3/20 0.63
HRH2 P25021 6/20 0.62
HRH1 P35367 6/20 0.62
DGKA P23743 1/20 0.60
MMP1 P03956 1/20 0.58
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57

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
SCHEMBL28315253 1.00 L3MBTL1 (0.66) L3MBTL1THRATHRBHRH2HRH1
SCHEMBL11440823 0.86 L3MBTL1 (0.76) L3MBTL1THRATHRBHRH2HRH1
SCHEMBL30552491 0.86 HDAC8 (0.57) L3MBTL1THRATHRBHRH2HRH1
SCHEMBL3829470 0.86 L3MBTL1 (0.68) L3MBTL1THRATHRBHRH2HRH1
SCHEMBL23726382 0.85 L3MBTL1 (0.60) L3MBTL1DGKATP53TSHR
SCHEMBL8754539 0.84 THRA (0.65) L3MBTL1THRATHRBHRH2HRH1
SCHEMBL9075091 0.84 THRA (0.68) L3MBTL1THRATHRBHRH2HRH1
SCHEMBL16318691 0.84 THRA (0.68) L3MBTL1THRATHRBHRH2HRH1
SCHEMBL15519509 0.84 THRA (0.68) L3MBTL1THRATHRBHRH2HRH1
SCHEMBL5354673 0.84 DGKA (0.66) DGKATP53TSHR

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
CN-105997967-B Compound and composition for treating cancer 普罗米蒂克医药SMT有限公司 2019-08-23 CN disclosed