SCHEMBL6267992

SCHEMBL6267992

O=C(O)COc1cccc(-c2ccc(C(=O)O)s2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.58
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
NR4A2 P43354 1/20 0.54
HDAC6 Q9UBN7 3/20 0.50
LMNA P02545 1/20 0.50
HSD17B2 P37059 6/20 0.49
HSD17B1 P14061 4/20 0.49
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
ALOX15 P16050 1/20 0.47
PTPN1 P18031 2/20 0.46
HDAC1 Q13547 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
FABP4 P15090 1/20 0.45

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
SCHEMBL27981521 0.86 HPGDS (0.58) HPGDSMEN1POLBRAB9AKMT2A
SCHEMBL5904040 0.84 NR4A2 (0.78) HPGDSMEN1POLBRAB9AKMT2A
SCHEMBL2247416 0.81 HDAC6 (0.72) HPGDSMEN1POLBRAB9AKMT2A
SCHEMBL5844471 0.79 HPGDS (0.60) HPGDSMEN1POLBRAB9AKMT2A
SCHEMBL14292893 0.79 HSD17B2 (0.53) HPGDSMEN1POLBRAB9AKMT2A
SCHEMBL420401 0.77 ALOX15 (0.68) NR4A2LMNAALOX15HDAC1FABP4
SCHEMBL1761545 0.77 RAB9A (0.92) HPGDSMEN1POLBRAB9AKMT2A
SCHEMBL6264976 0.76 ALDH1A1 (0.49) HPGDSMEN1POLBRAB9AKMT2A
SCHEMBL6260315 0.76 RAB9A (0.83) HPGDSMEN1POLBRAB9AKMT2A
SCHEMBL23578834 0.75 MAPT (0.55) HPGDSHDAC6HSD17B2HSD17B1KDM4E

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
WO-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed