SCHEMBL28183355

SCHEMBL28183355

O=C(O)CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ SSTR3 P32745 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ FKBP4 Q02790 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HDAC8 Q9BY41 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ CALCRL Q16602 1/20 0.46
▸ TP53 P04637 1/20 0.46

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
SCHEMBL9680449 0.93 FKBP4 (0.55) MEN1KMT2ASSTR3FKBP4SMN1; SMN2
SCHEMBL14419882 0.90 HDAC8 (0.48) SSTR3SMN1; SMN2HDAC8CALCRL
SCHEMBL14050124 0.88 FKBP4 (0.57) MEN1KMT2ASSTR3FKBP4SMN1; SMN2
SCHEMBL31098846 0.85 FKBP4 (0.51) MEN1KMT2AALDH1A1SSTR3FKBP4
SCHEMBL27355181 0.85 SSTR3 (0.57) MEN1KMT2ASSTR3SMN1; SMN2HDAC8
SCHEMBL2387136 0.85 SSTR3 (0.57) MEN1KMT2ASSTR3SMN1; SMN2HDAC8
SCHEMBL14050095 0.85 FKBP4 (0.60) MEN1KMT2ASSTR3FKBP4SMN1; SMN2
SCHEMBL10440798 0.83 SSTR3 (0.56) MEN1KMT2ACYP2C9CYP2C19SSTR3
SCHEMBL5176720 0.81 ALDH1A1 (0.57) KMT2AALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL29740041 0.81 SSTR3 (0.59) MEN1KMT2ASSTR3SMN1; SMN2NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107400666-B A kind of aminopeptidase and its encoding gene and application 广东轻工职业技术学院 2019-11-22 — — CN disclosed
CN-107400666-A A kind of aminopeptidase and its encoding gene and application 广东轻工职业技术学院 2017-11-28 — — CN disclosed
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