SCHEMBL22193121

SCHEMBL22193121

O=C(O)c1ccccc1C1=C2C=CC(O)C=C2Oc2cc(O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ USP2 O75604 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ HSP90AB1 P08238 1/20 0.47
▸ BRCA1 P38398 1/20 0.47
▸ YWHAG P61981 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KEAP1 Q14145 1/20 0.47
▸ NFE2L2 Q16236 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LMNA P02545 2/20 0.36
▸ SOS1 Q07889 1/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAOA P21397 2/20 0.32

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
SCHEMBL19117713 0.88 CYP2C9 (0.34) HSD17B10POLBUSP2MEN1HSP90AA1
SCHEMBL27517452 0.87 POLB (0.45) HSD17B10POLBUSP2MEN1HSP90AA1
SCHEMBL25829733 0.85 HSD17B10 (0.34) HSD17B10POLBUSP2MEN1HSP90AA1
SCHEMBL23425343 0.85 MEN1 (0.37) HSD17B10POLBUSP2MEN1HSP90AA1
SCHEMBL13657235 0.84 SOS1 (0.42) HSD17B10POLBUSP2MEN1HSP90AA1
SCHEMBL22651668 0.83 HSD17B10 (0.31) HSD17B10POLBUSP2MEN1HSP90AA1
SCHEMBL12515067 0.81 CA1 (0.33) HSD17B10POLBUSP2MEN1HSP90AA1
SCHEMBL23683711 0.80 MEN1 (0.31) MEN1KMT2A
SCHEMBL28787828 0.80 HSD17B10 (0.48) HSD17B10POLBUSP2MEN1HSP90AA1
SCHEMBL30206557 0.79 HSD17B10 (0.47) HSD17B10POLBUSP2MEN1HSP90AA1

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-10705099-B2 Methods and probes for determining the concentration of copper IGEA RESEARCH CORPORATION (US) 2020-07-07 — — US disclosed
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