SCHEMBL21888605

SCHEMBL21888605

CC(C)(c1ccc(O)c(N2C(=O)C=CC2=O)c1)c1ccc(O)c(N2C(=O)C=CC2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.48
▸ KLF10 Q13118 1/20 0.43
▸ ALOX15 P16050 2/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ RORC P51449 1/20 0.40
▸ TLR9 Q9NR96 2/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ MGLL Q99685 8/20 0.38
▸ ESR2 Q92731 2/20 0.38
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ AR P10275 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ ESRRG P62508 1/20 0.36

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
SCHEMBL11094672 0.84 ESR1 (0.61) ESR1KLF10ALOX15ALOX12RORC
SCHEMBL11095584 0.82 MGLL (0.42) ESR1KLF10ALOX15ALOX12RORC
SCHEMBL31179966 0.80 ESR1 (0.40) ESR1TLR9MGLLESR2TDP1
SCHEMBL2597018 0.79 MGLL (0.53) ESR1TLR9MGLLESR2HPGD
SCHEMBL10489999 0.76 MGLL (0.50) ALOX12TLR9CACNA1BMGLLHPGD
SCHEMBL31179974 0.71 TLR9 (0.48) TLR9CACNA1BMGLLHPGDTDP1
SCHEMBL23373912 0.70 ESR1 (0.38) ESR1KLF10ALOX15ALOX12RORC
SCHEMBL9516982 0.70 MGLL (0.71) ESR1MGLLESR2HPGDHSD17B10
SCHEMBL10613658 0.70 ESR1 (0.51) ESR1MGLLESR2HPGDHSD17B10
SCHEMBL3185260 0.70 MGLL (0.65) CACNA1BMGLLTDP1ALDH1A1HSP90AA1

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-20200109276-A1 COMPOSITION, CURED PRODUCT AND LAMINATE DIC CORPORATION (JP) 2020-04-09 — — US disclosed
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