SCHEMBL8468436

SCHEMBL8468436

CCCC(C(=O)O)N1C(=O)C=C(C)C1=O.CCCC(C(=O)O)N1C(=O)C=C(C)C1=O.CCCCC(C(=O)O)N1C(=O)C=C(C)C1=O.CCCCC(C(=O)O)N1C(=O)C=C(C)C1=O.[Zn]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.39
HPGD P15428 3/20 0.36
POLB P06746 2/20 0.36
ALOX12 P18054 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
APEX1 P27695 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.33

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
SCHEMBL6941606 0.96 PTPN1 (0.41) PTPN1HPGDPOLBALOX12KDM4E
SCHEMBL6937953 0.90 GPR84 (0.40) PTPN1HPGDPOLBALOX12MAPT
SCHEMBL9064640 0.80 ALDH1A1 (0.55) HPGDPOLBALOX12MEN1KMT2A
SCHEMBL8887852 0.80 ALDH1A1 (0.34) HPGDPOLBALOX12MEN1KMT2A
SCHEMBL7469680 0.79 PTPN1 (0.42) PTPN1HPGDPOLBALOX12MEN1
Hydrochloric Acid SCHEMBL7462193 0.77 PTPN1 (0.41) PTPN1HPGDPOLBALOX12MEN1
SCHEMBL9064577 0.76 ALDH1A1 (0.40) HPGDPOLBALOX12MEN1KMT2A
SCHEMBL43970 0.76 PTPN1 (0.42) PTPN1HPGDPOLBALOX12KDM4E
Hydrochloric Acid SCHEMBL4277446 0.74 PTPN1 (0.41) PTPN1HPGDPOLBALOX12KDM4E
SCHEMBL6939678 0.73 GPR84 (0.46) PTPN1HPGDPOLBALOX12MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5877327-A METAL SALTS OF ITACONIMIDECARBOXYLIC ACIDS AKZO NOBEL N.V. (NL) 1999-03-02 US disclosed
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