SCHEMBL7121273

SCHEMBL7121273

O=C(O)Cc1nnc(C(CC(=O)O)C(=O)O)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
USP2 O75604 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3787466 0.70 ALDH1A1 (0.35) L3MBTL1ALDH1A1GAATDP1POLB
SCHEMBL12446057 0.65 CYP1A2 (0.40) ALDH1A1KDM4ECYP1A2TSHRHSD17B10
SCHEMBL12050709 0.65 GABRR1 (0.38) ALDH1A1GAAPOLBKDM4ECYP1A2
SCHEMBL12050708 0.65 LMNA (0.34) ALDH1A1KDM4ECYP1A2TSHRHSD17B10
SCHEMBL11847477 0.65 ALDH1A1 (0.32) ALDH1A1KDM4ECYP1A2TSHRHSD17B10
SCHEMBL4060533 0.64 TBXAS1 (0.39) L3MBTL1ALDH1A1GAATDP1POLB
SCHEMBL12799252 0.62 NAALAD2 (0.47) L3MBTL1ALDH1A1GAATDP1POLB
SCHEMBL4139716 0.61 L3MBTL1 (0.39) L3MBTL1ALDH1A1GAATDP1POLB
SCHEMBL9331823 0.60 CYP2C19 (0.32) HSD17B10
SCHEMBL11137284 0.59 L3MBTL1 (0.71) L3MBTL1ALDH1A1GAATDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945496-B1 Ink compositions and multicolor thermal ink jet printing process for the production of high quality images XEROX CORP (US) 2003-11-12 EP claimed