SCHEMBL28511094

SCHEMBL28511094

CC(C)Oc1cc(C(=O)O)ccc1C(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 4/20 0.51
▸ MAX P61244 3/20 0.51
▸ EP300 Q09472 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ CTSV O60911 4/20 0.43
▸ CTSL P07711 4/20 0.43
▸ MAPT P10636 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40
▸ PDK1 Q15118 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ EDNRA P25101 1/20 0.39

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
SCHEMBL16369635 0.87 MYC (0.62) MYCMAXEP300HIF1ACTSV
SCHEMBL16369625 0.85 CTSV (0.48) MYCMAXCTSVCTSLMAPT
SCHEMBL17775441 0.80 MEN1 (0.47) MYCMAXCTSVCTSLMAPT
SCHEMBL17775433 0.80 MYC (0.54) MYCMAXEP300HIF1ACTSV
SCHEMBL528177 0.76 MYC (0.67) MYCMAXCTSVCTSLMEN1
SCHEMBL30082870 0.76 MYC (0.67) MYCMAXCTSVCTSLMEN1
SCHEMBL30658490 0.74 EP300 (0.61) MYCMAXEP300HIF1AMEN1
SCHEMBL528040 0.74 EP300 (0.61) MYCMAXEP300HIF1AMEN1
SCHEMBL20764575 0.74 MEN1 (0.49) MYCMAXCTSVCTSLMAPT
SCHEMBL30625926 0.74 MEN1 (0.49) MYCMAXCTSVCTSLMAPT

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-105793424-B Ascomycetes amides 亥姆霍兹感染研究中心有限公司 2021-02-19 — — CN disclosed
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