SCHEMBL9064640

SCHEMBL9064640

CC1=CC(=O)N(C(CCC(=O)O)C(=O)O)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPK1 P28482 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
TP53 P04637 1/20 0.55
GLA P06280 1/20 0.55
POLB P06746 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
ALOX12 P18054 1/20 0.55
NFKB1 P19838 1/20 0.55
APEX1 P27695 1/20 0.55
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 1/20 0.44
PPM1B O75688 1/20 0.43
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 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
SCHEMBL9064577 0.84 ALDH1A1 (0.40) ALDH1A1MAPK1KDM4EHPGDHSD17B10
SCHEMBL6941606 0.83 PTPN1 (0.41) ALDH1A1MAPK1KDM4EHPGDHSD17B10
SCHEMBL6937953 0.81 GPR84 (0.40) ALDH1A1MAPK1KDM4EHPGDHSD17B10
SCHEMBL8468436 0.80 PTPN1 (0.39) ALDH1A1MAPK1KDM4EHPGDHSD17B10
SCHEMBL8835130 0.76 KDM4E (0.60) ALDH1A1MAPK1KDM4EHPGDHSD17B10
SCHEMBL411116 0.74 ALDH1A1 (0.58) ALDH1A1MAPK1KDM4EHPGDHSD17B10
SCHEMBL9064507 0.73 CSNK2A2 (0.46) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL18137235 0.73 MAPK1 (0.49) ALDH1A1MAPK1KDM4EHPGDHSD17B10
SCHEMBL14991107 0.71 ALDH1A1 (1.00) ALDH1A1MAPK1KDM4EHPGDHSD17B10
SCHEMBL441970 0.71 ALDH1A1 (1.00) ALDH1A1MAPK1KDM4EHPGDHSD17B10

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
US-5523360-A IMPROVES MELT-FLOW PROPERTIES AKZO NOBEL N. V. (NL) 1996-06-04 US disclosed
EP-0648240-A1 PROCESS FOR THE MODIFICATION OF POLYPHENYLENE ETHER RESIN COMPOSITIONS Akzo Nobel N.V. (NL) 1995-04-19 EP disclosed
WO-1994001485-A1 PROCESS FOR THE MODIFICATION OF POLYPHENYLENE ETHER RESIN COMPOSITIONS AKZO NOBEL N.V. (NL) 1994-01-20 WO disclosed