SCHEMBL5579527

SCHEMBL5579527

COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1ccc(O)cc1)O2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 1.00
MEN1 O00255 6/20 1.00
KMT2A Q03164 6/20 1.00
MAPT P10636 4/20 1.00
POLB P06746 3/20 1.00
MCL1 Q07820 1/20 1.00
NPC1 O15118 4/20 0.82
SMN1; SMN2 Q16637 2/20 0.82
STK17B O94768 3/20 0.56
MAOA P21397 2/20 0.56
MAOB P27338 2/20 0.56
TYR P14679 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56

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
SCHEMBL10734520 0.89 RAB9A (0.80) RAB9AMEN1KMT2AMAPTPOLB
SCHEMBL10734524 0.89 RAB9A (0.80) RAB9AMEN1KMT2AMAPTPOLB
SCHEMBL10739409 0.88 RAB9A (0.79) RAB9AMEN1KMT2AMAPTPOLB
SCHEMBL5308789 0.85 RAB9A (0.73) RAB9AMEN1KMT2AMAPTPOLB
SCHEMBL5308793 0.85 RAB9A (0.73) RAB9AMEN1KMT2AMAPTPOLB
SCHEMBL29537543 0.81 RAB9A (0.68) RAB9AMEN1KMT2AMAPTPOLB
SCHEMBL11861138 0.81 RAB9A (0.68) RAB9AMEN1KMT2AMAPTPOLB
SCHEMBL21082603 0.81 RAB9A (0.68) RAB9AMEN1KMT2AMAPTPOLB
SCHEMBL21046440 0.79 MEN1 (0.65) RAB9AMEN1KMT2AMAPTPOLB
SCHEMBL10730454 0.79 RAB9A (0.68) RAB9AMEN1KMT2AMAPTPOLB

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-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US claimed