SCHEMBL28525705

SCHEMBL28525705

CCN(C(=O)c1ccc(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)c(OC(C)C)c1O)c1c(OC(C)C)cccc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.38
▸ DUSP3 P51452 1/20 0.34
▸ PTPN5 P54829 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ PPARG P37231 2/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ NR1H4 Q96RI1 2/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ HDAC1 Q13547 3/20 0.33
▸ KLK1 P06870 2/20 0.33
▸ KLK5 Q9Y337 2/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ ITGB3 P05106 1/20 0.33
▸ ITGB1 P05556 1/20 0.33
▸ ITGAV P06756 1/20 0.33
▸ ITGA2B P08514 1/20 0.33

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
SCHEMBL17779609 0.76 MAPT (0.41) NAMPTKMT2AMEN1NR1H4RAB9A
SCHEMBL20786981 0.69 MITF (0.42) KMT2AMEN1RAB9AHDAC1HDAC8
SCHEMBL24379800 0.68 MEN1 (0.54) TDP1KMT2AMEN1NR1H4RAB9A
SCHEMBL21138155 0.66 EP300 (0.48) KMT2AMEN1RAB9AHDAC1HDAC8
SCHEMBL20787640 0.66 NPC1 (0.49) TDP1KMT2AMEN1RAB9ATP53
SCHEMBL26543681 0.65 PLG (0.38) TDP1KMT2AMEN1RAB9AHDAC1
SCHEMBL24379797 0.65 EP300 (0.53) TDP1KMT2AMEN1NR1H4RAB9A
SCHEMBL22461618 0.65 NAMPT (0.65) NAMPTKMT2AMEN1NR1H4RAB9A
SCHEMBL17526122 0.65 NAMPT (0.73) NAMPTKMT2AMEN1RAB9AHDAC8
SCHEMBL22461360 0.65 NAMPT (0.65) NAMPTKMT2AMEN1NR1H4RAB9A

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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