SCHEMBL4011349

SCHEMBL4011349

O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.64
PRSS1 P07477 3/20 0.64
PRSS2 P07478 3/20 0.64
PRSS3 P35030 3/20 0.64
KDM1A O60341 9/20 0.63
MAOA P21397 7/20 0.63
RCOR1 Q9UKL0 3/20 0.63
KDM1B Q8NB78 1/20 0.63
MAOB P27338 2/20 0.62
CTSL P07711 4/20 0.61
CTSB P07858 2/20 0.60
HDAC8 Q9BY41 1/20 0.59

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
SCHEMBL6801630 0.89 CTSL (0.66) CTSLCTSB
SCHEMBL6801635 0.89 CTSL (0.66) CTSLCTSB
SCHEMBL8205341 0.88 SIRT5 (0.57) F2PRSS1PRSS2PRSS3KDM1A
SCHEMBL7370634 0.87 HDAC8 (0.73) F2PRSS1PRSS2PRSS3KDM1A
SCHEMBL5348200 0.86 HDAC3 (0.59) F2PRSS1PRSS2PRSS3KDM1A
SCHEMBL951558 0.86 CTSL (0.65) CTSLCTSB
SCHEMBL8433969 0.86 CTSL (0.62) CTSLCTSB
SCHEMBL11138908 0.86 CTSL (0.65) CTSLCTSB
SCHEMBL11144067 0.86 CTSL (0.65) CTSLCTSB
SCHEMBL8436808 0.86 CTSL (0.62) CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009080631-A2 CHEMO-ENZYMATIC SYNTHESIS OF A C-TERMINAL ARYL AMIDE OF AN AMINO ACID OR PEPTIDE DSM IP ASSETS BV (NL) 2009-07-02 WO disclosed
WO-2009080631-A2 CHEMO-ENZYMATIC SYNTHESIS OF A C-TERMINAL ARYL AMIDE OF AN AMINO ACID OR PEPTIDE DSM IP ASSETS BV (NL) 2009-07-02 WO disclosed
EP-0464388-A1 Detection assays having chromogenic and nonchromogenic, hypocromogenic, bathochromogenic or hypsochromogenic substrates TECHNICON INSTRUMENTS CORPORATION (a New York corporation) (US) 1992-01-08 EP disclosed
US-RE29369-E AMIDE PRODUCT, SALTS OF HYDROXY-SUBSTITUTED PYRIDINE COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JA) 1977-08-23 US disclosed
US-4043992-A Method for preparing acylated products KYOWA HAKKO KOGYO CO., LTD. (JA) 1977-08-23 US disclosed
US-3963728-A ACYLATION OF NITROGEN CONTAINING COMPOUNDS USING ESTERS KYOWA HAKKO KOGYO CO., LTD. (JA) 1976-06-15 US disclosed