SCHEMBL28847327

SCHEMBL28847327

C=CC(=O)Oc1ccc(C(C)CCCCCCC)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.59
THRA P10827 4/20 0.48
TSHR P16473 3/20 0.41
HPGD P15428 1/20 0.41
SLC2A1 P11166 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MGLL Q99685 1/20 0.38
LMNA P02545 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL13784556 0.94 THRB (0.58) THRBTHRATSHRHPGDMEN1
SCHEMBL13784562 0.88 THRB (0.58) THRBTHRATSHRHPGDMEN1
SCHEMBL9842856 0.85 ZDHHC2 (0.43) THRBTHRATSHRSLC2A1MEN1
SCHEMBL13784561 0.82 THRB (0.57) THRBTSHRMEN1KMT2ATDP1
SCHEMBL16848525 0.79 THRB (0.54) THRBTHRATSHRHPGDMEN1
SCHEMBL76058 0.79 THRB (0.51) THRBTHRATSHRMEN1KMT2A
SCHEMBL13784557 0.78 LMNA (0.46) TSHRMEN1KMT2ATDP1ALDH1A1
SCHEMBL12127184 0.77 NPC1 (0.48) HPGDMEN1KMT2AALDH1A1MGLL
SCHEMBL25423895 0.77 SLC2A1 (0.49) TSHRSLC2A1MEN1KMT2ATDP1
SCHEMBL13784593 0.77 TSHR (0.47) THRBTHRATSHRHPGDMEN1

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-111117375-B Color paste for water-based ink and preparation method thereof 传美讯电子科技(珠海)有限公司 2022-08-30 CN claimed