SCHEMBL28797269

SCHEMBL28797269

C=CC(=O)Oc1c(CCCCC)cccc1C(C)c1cc(C(C)(C)CC)cc(C(C)(C)CC)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.43
▸ THRA P10827 1/20 0.43
▸ F7 P08709 3/20 0.32
▸ F3 P13726 3/20 0.32
▸ MMP2 P08253 2/20 0.32
▸ SAE1 Q9UBE0 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ECE1 P42892 1/20 0.32
▸ SGMS1 Q86VZ5 1/20 0.32
▸ SGMS2 Q8NHU3 1/20 0.32
▸ MUS81 Q96NY9 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ BID P55957 5/20 0.31
▸ MCL1 Q07820 5/20 0.31
▸ BCL2L1 Q07817 4/20 0.31
▸ BAK1 Q16611 4/20 0.31

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
SCHEMBL9551630 0.91 THRB (0.39) THRBTHRAALOX5PPARG
SCHEMBL312765 0.88 THRB (0.39) THRBTHRA
SCHEMBL30384475 0.88 THRB (0.39) THRBTHRA
SCHEMBL28745621 0.87 RXRA (0.32) THRBPPARG
SCHEMBL28789359 0.87 THRB (0.41) THRBTHRAPPARG
SCHEMBL27074426 0.83 THRB (0.39) THRBTHRAPPARG
SCHEMBL29353638 0.82 RXRA (0.37) THRBPPARG
SCHEMBL237192 0.82 RXRA (0.37) THRBPPARG
SCHEMBL29464292 0.82 RXRA (0.37) THRBPPARG
SCHEMBL13256705 0.82 CNR1 (0.36) THRBPPARG

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-102458830-A Inorganic particle composite and method for producing inorganic particle composite SUMITOMO CHEMICAL CO 2012-05-16 — — CN disclosed
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