SCHEMBL7798248

SCHEMBL7798248

COc1ccccc1CC(=O)OC(=O)Cc1ccccc1C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.53
MAPT P10636 2/20 0.53
L3MBTL1 Q9Y468 3/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
TTR P02766 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL4059781 0.92 L3MBTL1 (0.55) TDP1MAPTL3MBTL1MEN1TSHR
SCHEMBL28267690 0.88 CTBP2 (0.53) MAPTMEN1KMT2ASMN1; SMN2TAAR1
SCHEMBL7798245 0.85 HSD17B10 (0.53) TDP1MAPTL3MBTL1MAPK1MEN1
SCHEMBL4059783 0.83 MTNR1A (0.51) TDP1MAPTL3MBTL1MEN1TSHR
SCHEMBL468013 0.81 MEN1 (0.58) TDP1MAPTL3MBTL1MEN1TSHR
SCHEMBL30027909 0.81 MEN1 (0.58) TDP1MAPTL3MBTL1MEN1TSHR
SCHEMBL1792326 0.80 TSHR (0.55) TDP1MAPTL3MBTL1MEN1TSHR
SCHEMBL27833130 0.80 CTBP2 (0.49) MAPTMEN1KMT2ASMN1; SMN2TAAR1
SCHEMBL30522283 0.79 CTBP2 (0.51) MAPTL3MBTL1MEN1TSHRKMT2A
SCHEMBL265432 0.79 CTBP2 (0.51) MAPTL3MBTL1MEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161421-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE Pharmacia & Upjohn Aktiebolag (SE) 2001-12-12 EP disclosed
WO-2000053583-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE BIOVITRUM AB (SE) 2000-09-14 WO disclosed