SCHEMBL8059211

SCHEMBL8059211

CCC(COC(C)=O)(OP(=O)(O)Cc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.41
GLA P06280 1/20 0.39
CETP P11597 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PIN1 Q13526 1/20 0.35
PPARG P37231 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
ALOX5 P09917 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARA Q07869 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
SCHEMBL8061486 0.86 PTPN1 (0.42) PTPN1GLACETPALDH1A1PIN1
SCHEMBL5059816 0.85 PTPN1 (0.41) PTPN1CETPPIN1POLBSMN1; SMN2
SCHEMBL8046802 0.80 ACP3 (0.39) CETPALDH1A1PPARGMEN1KMT2A
SCHEMBL7611446 0.80 PTPN1 (0.45) PTPN1CETPPIN1PPARGGAA
SCHEMBL7611836 0.78 PTPN1 (0.46) PTPN1CETPPIN1PPARGMEN1
SCHEMBL7604569 0.77 PTPN1 (0.47) PTPN1CETPPIN1PPARGGAA
SCHEMBL7605932 0.77 PTPN1 (0.52) PTPN1CETP
SCHEMBL8046123 0.76 PTPN1 (0.41) PTPN1GLAALDH1A1PIN1PPARG
SCHEMBL7610346 0.76 PTPN1 (0.43) PTPN1CETPPIN1PPARGMEN1
SCHEMBL7610316 0.74 CETP (0.45) PTPN1CETPPPARGSMN1; SMN2PPARA

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
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed