SCHEMBL4612012

SCHEMBL4612012

CCCCOC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 2/20 0.63
▸ ALOX15 P16050 1/20 0.62
▸ ACE P12821 3/20 0.61
▸ NMBR P28336 5/20 0.60
▸ P2RY14 Q15391 1/20 0.59
▸ ITGB2 P05107 1/20 0.59
▸ ICAM1 P05362 1/20 0.59
▸ ITGAL P20701 1/20 0.59
▸ KMT2A Q03164 2/20 0.58
▸ MEN1 O00255 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ ECE1 P42892 3/20 0.57

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
SCHEMBL8785114 1.00 KCNA5 (0.63) KCNA5ALOX15ACENMBRP2RY14
SCHEMBL3820631 1.00 KCNA5 (0.63) KCNA5ALOX15ACENMBRP2RY14
Glycine SCHEMBL28118895 0.95 NMBR (0.60) KCNA5ALOX15ACENMBRP2RY14
Glycine SCHEMBL28118897 0.95 NMBR (0.60) KCNA5ALOX15ACENMBRP2RY14
Pyridine SCHEMBL27529532 0.94 KCNA5 (0.58) KCNA5ALOX15ACENMBRP2RY14
SCHEMBL8547809 0.91 KMT2A (0.66) KCNA5NMBRKMT2AMEN1
SCHEMBL4410184 0.91 ERAP2 (0.60) KCNA5ACENMBRKMT2AMEN1
SCHEMBL4412285 0.91 ERAP2 (0.60) KCNA5ACENMBRKMT2AMEN1
SCHEMBL12017025 0.89 NMBR (0.61) ALOX15ACENMBRITGB2ICAM1
SCHEMBL4419904 0.89 PPARG (0.54) KCNA5ALOX15ACENMBRP2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3429354-A1 B-VITAMIN AND AMINO ACID CONJUGATES OF NICOTINOYL RIBOSIDES AND REDUCED NICOTINOYL RIBOSIDES, DERIVATIVES THEREOF, AND METHODS OF PREPARATION THEREOF Chromadex Inc. (US) 2019-01-23 — — EP claimed
WO-2017161165-A1 B-VITAMIN AND AMINO ACID CONJUGATES OF NICOTINOYL RIBOSIDES AND REDUCED NICOTINOYL RIBOSIDES, DERIVATIVES THEREOF, AND METHODS OF PREPARATION THEREOF ChromaDex Inc. (US) 2017-09-21 — — WO claimed
CN-109438321-A A kind of tryptophan derivative and its preparation method and application 南京友怡医药科技有限公司 2019-03-08 — — CN disclosed
CN-106478771-A A kind of synthetic method of amino acid neural tetrapeptide 李世军 2017-03-08 — — CN disclosed
CN-106279354-A A kind of synthetic method of amino acid neural dipeptides 温州医科大学 2017-01-04 — — CN disclosed
CN-101932560-A Matrix metalloproteinase inhibitors, pharmaceutical compositions containing them and their use POISON MED INST PLA MED ACAD 2010-12-29 — — CN disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 — — WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 — — EP disclosed
US-7163671-B2 Long-term stabilized formulations CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-01-16 — — US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 — — WO disclosed
US-20030092622-A1 Preparation stabilized over long time CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-05-15 — — US disclosed
EP-1260230-A1 PREPARATIONS STABILIZED OVER LONG TIME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-11-27 — — EP disclosed
EP-0994712-A1 INHIBITORS OF NEUTROPHIL MEDIATED OXIDANT PRODUCTION ELI LILLY AND COMPANY (US) 2000-04-26 — — EP disclosed
WO-1999002163-A1 INHIBITORS OF NEUTROPHIL MEDIATED OXIDANT PRODUCTION ELI LILLY AND COMPANY (US) 1999-01-21 — — WO disclosed
EP-0807114-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-11-19 — — EP disclosed
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