SCHEMBL28202777

SCHEMBL28202777

O=Nc1ccc(O)c(Cl)c1.[Hg]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ HSD17B10 Q99714 4/20 0.48
▸ TSHR P16473 2/20 0.48
▸ CA2 P00918 2/20 0.45
▸ CA1 P00915 1/20 0.45
▸ ESR2 Q92731 2/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ ESR1 P03372 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL11213671 0.98 PTGS1 (0.53) PTGS1PTGS2HSD17B10TSHRCA2
SCHEMBL21125070 0.79 PTGS1 (0.67) PTGS1PTGS2HSD17B10TSHRCA2
SCHEMBL3316934 0.77 PTGS2 (0.48) PTGS1PTGS2HSD17B10CA2CA1
SCHEMBL30396176 0.77 MAPK1 (0.58) HSD17B10TSHRCYP3A4KMT2AMAPT
SCHEMBL12116179 0.77 MAPK1 (0.58) HSD17B10TSHRCYP3A4KMT2AMAPT
SCHEMBL28253003 0.73 MAPK1 (0.39) PTGS1PTGS2HSD17B10TSHRHPGD
SCHEMBL12228262 0.73 MAPT (0.40) PTGS1PTGS2HSD17B10TSHRCA2
SCHEMBL25453428 0.72 PTGS1 (0.54) PTGS1PTGS2HSD17B10TSHRCA2
SCHEMBL2448393 0.72 HSD17B10 (0.46) PTGS1PTGS2HSD17B10TSHRCA2
SCHEMBL18403872 0.71 ALOX15 (0.50) PTGS1PTGS2HSD17B10CA2CA1

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-107750162-A Suitable for the microgel particle by therapeutic peptide oral delivery to lower intestines 因苏卡普斯有限公司 2018-03-02 — — CN disclosed
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