SCHEMBL7739870

SCHEMBL7739870

COc1cc2c(c(O)c1OC)C(=O)C(=O)C(O)(c1ccccc1)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.41
EDNRA P25101 4/20 0.41
TAS2R31 P59538 1/20 0.40
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 1/20 0.38
ACHE P22303 1/20 0.37
PLK1 P53350 1/20 0.37
BACE1 P56817 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL29500460 0.78 RIPK1 (0.53) EDNRBEDNRATAS2R31GAAMAPT
SCHEMBL28763488 0.74 GAA (0.40) EDNRBEDNRAGAAMAPTMEN1
SCHEMBL27660446 0.73 MAPT (0.43) EDNRBEDNRAGAAMAPTMEN1
SCHEMBL27660508 0.71 MEN1 (0.51) EDNRBEDNRAGAAMAPTMEN1
SCHEMBL11109058 0.69 MEN1 (0.41) EDNRBEDNRAGAAMAPTMEN1
SCHEMBL28524099 0.69 STK17B (0.36) GAAMAPTMEN1KMT2ANPSR1
SCHEMBL27867200 0.69 NPC1 (0.38) EDNRBEDNRAGAAMAPTMEN1
SCHEMBL8577388 0.68 GAA (0.39) TAS2R31GAAMAPTMEN1KMT2A
SCHEMBL8574170 0.68 GAA (0.39) TAS2R31GAAMAPTMEN1KMT2A
SCHEMBL27680435 0.68 MAPT (0.38) EDNRBEDNRAGAAMAPTMEN1

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
WO-2001003687-A2 METHOD AND COMPOSITIONS FOR INHIBITING BIOSYNTHESIS OR BIOACTIVITY OF ENDOGENOUS STEROID SEX HORMONES IN HUMANS CEDARS-SINAI MEDICAL CENTER (US) 2001-01-18 WO claimed
WO-2001003687-A2 METHOD AND COMPOSITIONS FOR INHIBITING BIOSYNTHESIS OR BIOACTIVITY OF ENDOGENOUS STEROID SEX HORMONES IN HUMANS CEDARS-SINAI MEDICAL CENTER (US) 2001-01-18 WO disclosed