Aminocaproic Acid

Aminocaproic Acid

SCHEMBL724948

NCCCCCC(=O)O.O=C1CCC(=O)N1O

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PLATPLG

The experimentally established mechanism targets of Aminocaproic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG known ✓ P00747 1/20 0.61
LMNA P02545 4/20 0.61
KMT2A Q03164 3/20 0.61
THRB P10828 2/20 0.61
MEN1 O00255 2/20 0.61
ALDH1A1 P00352 2/20 0.61
ALOX15 P16050 1/20 0.61
SLC6A2 P23975 1/20 0.61
RECQL P46063 1/20 0.61
SLC6A3 Q01959 1/20 0.61
NFKB1 P19838 2/20 0.57
CYP2D6 P10635 1/20 0.57
BLM P54132 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
TSHR P16473 3/20 0.48
GABRR3 A8MPY1 1/20 0.48
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
HDAC3 O15379 1/20 0.48
GABBR2 O75899 1/20 0.48

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
Octanedioate SCHEMBL1394807 0.91 TSHR (0.52) LMNAKMT2AMEN1ALDH1A1ALOX15
Azelaic Acid SCHEMBL28918234 0.91 TSHR (0.52) LMNAKMT2AMEN1ALDH1A1ALOX15
Sebacic Acid SCHEMBL28228671 0.91 TSHR (0.52) LMNAKMT2AMEN1ALDH1A1ALOX15
Octanedioate SCHEMBL6037661 0.91 TSHR (0.52) LMNAKMT2AMEN1ALDH1A1ALOX15
Adipic Acid SCHEMBL29427201 0.89 LMNA (0.50) LMNAKMT2AMEN1ALDH1A1NFKB1
Adipic Acid SCHEMBL906129 0.89 LMNA (0.50) LMNAKMT2AMEN1ALDH1A1NFKB1
Sebacic Acid SCHEMBL29286911 0.85 GPR84 (0.50) LMNAKMT2AMEN1ALDH1A1ALOX15
Glutarate SCHEMBL9485824 0.85 SLC22A6 (0.50) LMNAKMT2ATHRBMEN1NFKB1
Glutarate SCHEMBL28487046 0.85 SLC22A6 (0.50) LMNAKMT2ATHRBMEN1NFKB1
SCHEMBL9576050 0.82 TSHR (0.43) LMNAKMT2AMEN1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998616-A Biocatalyst for the conversion of carbonyl compounds to their β-unsaturated derivatives using molecular oxygen as the oxidant THE UNIVERSITY OF MICHIGAN (US) 1999-12-07 US claimed
US-20180217158-A1 METHODS FOR DETECTING ANTI-HE4 ANTIBODIES AND METHODS OF DIAGNOSIS AND/OR PROGNOSIS OF CONDITIONS ASSOCIATED WITH HE4-EXPRESSING CELLS UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2018-08-02 US disclosed
EP-2609429-B1 METHODS FOR DETECTING ANTI-HE4 ANTIBODIES AND METHODS OF DIAGNOSIS AND/OR PROGNOSIS OF CONDITIONS ASSOCIATED WITH HE4-EXPRESSING CELLS UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2017-09-20 EP disclosed
US-20130224772-A1 METHOD FOR DETECTING ANTI-HE4 ANTIBODIES AND METHODS OF DIAGNOSIS AND/OR PROGNOSIS OF CONDITIONS ASSOCIATED WITH HE4-EXPRESSING CELLS UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2013-08-29 US disclosed
EP-2609429-A2 METHODS FOR DETECTING ANTI-HE4 ANTIBODIES AND METHODS OF DIAGNOSIS AND/OR PROGNOSIS OF CONDITIONS ASSOCIATED WITH HE4-EXPRESSING CELLS University Of Washington Through Its Center For Commercialization (US) 2013-07-03 EP disclosed
WO-2012027631-A2 METHODS FOR DETECTING ANTI-HE4 ANTIBODIES AND METHODS OF DIAGNOSIS AND/OR PROGNOSIS OF CONDITIONS ASSOCIATED WITH HE4-EXPRESSING CELLS UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2012-03-01 WO disclosed
WO-2010053115-A1 NOVEL AFFINITY SUPPORT 大日本住友製薬株式会社 (JP) 2010-05-14 WO disclosed
US-6046043-A REGIO- AND STEREOSELECTIVELY OXIDIZING SATURATED ALDEHYDES, KETONES, ESTERS OR AMIDES USING A COMPLEX OF APOFLAVOPROTEIN AND A DERIVATIVE OF FLAVINMONONUCLEOTIDE TO THEIR UNSATURATED DERVIATIVES UNDER MILD CONDITONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2000-04-04 US disclosed
US-5998616-A Biocatalyst for the conversion of carbonyl compounds to their β-unsaturated derivatives using molecular oxygen as the oxidant THE UNIVERSITY OF MICHIGAN (US) 1999-12-07 US disclosed