SCHEMBL8928043

SCHEMBL8928043

Cc1nccn1C(C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.43
FPR2 P25090 1/20 0.36
ALDH1A1 P00352 3/20 0.34
FDPS P14324 1/20 0.34
ALPL P05186 2/20 0.33
ALPG P10696 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALPI P09923 1/20 0.33
PLAA Q9Y263 1/20 0.33
KMT2A Q03164 3/20 0.33
GFER P55789 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL10688674 0.82 ALDH1A1 (0.44) CYP26A1FPR2ALDH1A1FDPSSMN1; SMN2
SCHEMBL315254 0.78 CYP26A1 (0.40) CYP26A1ALDH1A1FDPSALPLALPG
Oxalic Acid SCHEMBL10364074 0.76 CYP26A1 (0.38) CYP26A1FPR2ALDH1A1FDPSSMN1; SMN2
SCHEMBL21629869 0.74
SCHEMBL3554565 0.73 CYP26A1 (0.42) CYP26A1KMT2AMEN1
SCHEMBL15917807 0.72
SCHEMBL9210148 0.72
SCHEMBL273629 0.72
SCHEMBL19182926 0.71 NR3C2 (0.39) CYP26A1KMT2A
SCHEMBL10364645 0.71 CYP26A1 (0.37) CYP26A1FPR2FDPSKMT2A

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-0458901-B1 INHIBITING TRANSFORMATION OF CELLS HAVING ELEVATED PURINE METABOLIC ENZYME ACTIVITY MASSACHUSETTS INST TECHNOLOGY (US) 1997-12-17 EP claimed