SCHEMBL7583630

SCHEMBL7583630

NCCCCCC(=O)c1c(CN)cc(O)c(C(=O)O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.48
PLA2G5 P39877 2/20 0.48
FFAR1 O14842 1/20 0.48
CBS P35520 1/20 0.40
ACHE P22303 3/20 0.38
SGMS1 Q86VZ5 3/20 0.38
SGMS2 Q8NHU3 3/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
PLG P00747 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
SLC6A2 P23975 1/20 0.37
RECQL P46063 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ELANE P08246 5/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
Hydrochloric Acid SCHEMBL6289477 0.69 CYP3A4 (0.42) FFAR1ACHEMEN1KMT2AALDH1A1
SCHEMBL9350983 0.66 FFAR1 (0.52) PLA2G2APLA2G5FFAR1ACHEMEN1
SCHEMBL31040550 0.65 FFAR1 (0.69) PLA2G2APLA2G5FFAR1CBSACHE
SCHEMBL14924223 0.65 PLA2G2A (1.00) PLA2G2APLA2G5FFAR1MEN1KMT2A
Didodecanoylphloroglucinol SCHEMBL9188500 0.65 PLA2G2A (1.00) PLA2G2APLA2G5FFAR1MEN1KMT2A
SCHEMBL9752843 0.65 PLA2G2A (1.00) PLA2G2APLA2G5FFAR1MEN1KMT2A
SCHEMBL9752712 0.65 PLA2G2A (1.00) PLA2G2APLA2G5FFAR1MEN1KMT2A
SCHEMBL31040531 0.65 FFAR1 (0.69) PLA2G2APLA2G5FFAR1CBSACHE
SCHEMBL31040540 0.65 FFAR1 (0.69) PLA2G2APLA2G5FFAR1CBSACHE
SCHEMBL8394461 0.64 CA12 (0.45)

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
US-6462179-B1 CONJUGATION TO PEPTIDES, PROTEINS, HORMONES, POLYSACCHARIDES, NUCLEIC ACIDS, HAPTENS, DRUGS, LIGANDS, TOXINS, HALOPHORS, AND OTHER MACROMOLECULES PROLINX, INC. 2002-10-08 US disclosed
EP-0915832-B1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX INC (US) 2002-10-02 EP disclosed
US-6124471-A Phenyldiboronic acid reagents and complexes PROLINX, INC. (US) 2000-09-26 US disclosed
US-6075126-A Phenyldiboronic acid reagents and complexes PROLINX, INC. (US) 2000-06-13 US disclosed
EP-0915832-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1999-05-19 EP disclosed
WO-1998005627-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1998-02-12 WO disclosed