SCHEMBL8931456

SCHEMBL8931456

CC1=CC(=O)N(C(C(=O)O)C(C)C)C1=O.CC1=CC(=O)N(C(C(=O)O)C(C)C)C1=O.CC1=CC(=O)N(Cc2ccc(C(=O)O)cc2)C1=O.CC1=CC(=O)N(Cc2ccc(C(=O)O)cc2)C1=O.[Zn]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
ENPP2 Q13822 1/20 0.42
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 4/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
THRB P10828 2/20 0.39
RECQL P46063 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
NR4A1 P22736 1/20 0.39
APEX1 P27695 1/20 0.39
APOBEC3A P31941 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL24939705 0.84 PTGS1 (0.61) PTGS1PTGS2ENPP2MEN1KMT2A
SCHEMBL8467568 0.80 MEN1 (0.37) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL8440537 0.79 MEN1 (0.38) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL16266924 0.79 MEN1 (0.38) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL1133156 0.73 MGLL (0.50) PTGS1PTGS2CA1CA2CA9
SCHEMBL24939709 0.70 PTGS1 (0.64) PTGS1PTGS2ENPP2MEN1KMT2A
Hydrochloric Acid SCHEMBL7466609 0.69 PTGS1 (0.62) PTGS1PTGS2ENPP2MEN1KMT2A
SCHEMBL907301 0.69 RGS4 (0.64) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL3034487 0.64 PTGS1 (1.00) PTGS1PTGS2ENPP2MEN1KMT2A
SCHEMBL9064507 0.64 CSNK2A2 (0.46) MEN1KMT2APOLBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638107-B1 ANTI-FATIQUE COAGENTS FOR RUBBER VULCANIZATION AKZO NOBEL NV (NL) 1997-05-14 EP disclosed
US-5508354-A Anti-fatigue coagents for rubber vulcanization AKZO NOBEL N.V. (NL) 1996-04-16 US disclosed
WO-1993022377-A1 ANTI-FATIQUE COAGENTS FOR RUBBER VULCANIZATION AKZO NOBEL N.V. (NL) 1993-11-11 WO disclosed