SCHEMBL6320632

SCHEMBL6320632

COc1ccc(C(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 1.00
KMT2A Q03164 5/20 0.84
MEN1 O00255 3/20 0.84
NPC1 O15118 3/20 0.80
ALDH1A1 P00352 10/20 0.72
KDM4E B2RXH2 10/20 0.72
MAPT P10636 8/20 0.72
HPGD P15428 5/20 0.72
RXFP1 Q9HBX9 1/20 0.72
RAB9A P51151 2/20 0.67
CASP3 P42574 1/20 0.67
SENP8 Q96LD8 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
SENP6 Q9GZR1 1/20 0.67
AR P10275 1/20 0.65
HSD17B10 Q99714 3/20 0.65
TP53 P04637 2/20 0.63
GAA P10253 2/20 0.63
LMNA P02545 2/20 0.59
USP2 O75604 1/20 0.59

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
SCHEMBL31461247 0.87 POLB (0.77) POLBKMT2AMEN1NPC1ALDH1A1
SCHEMBL23850835 0.87 POLB (0.77) POLBKMT2AMEN1NPC1ALDH1A1
SCHEMBL15499731 0.83 ALDH1A1 (0.81) POLBKMT2AMEN1NPC1ALDH1A1
SCHEMBL2803955 0.82 ALDH1A1 (0.80) POLBKMT2AMEN1NPC1ALDH1A1
SCHEMBL29881770 0.82 ALDH1A1 (0.80) POLBKMT2AMEN1NPC1ALDH1A1
SCHEMBL11316690 0.82 AR (0.74) POLBKMT2AMEN1NPC1ALDH1A1
SCHEMBL4386227 0.81 KDM4E (0.79) POLBKMT2AMEN1NPC1ALDH1A1
SCHEMBL3210418 0.81 ALDH1A1 (0.79) POLBKMT2AMEN1NPC1ALDH1A1
SCHEMBL5717615 0.81 AR (0.73) POLBKMT2AMEN1NPC1ALDH1A1
SCHEMBL23850845 0.81 POLB (0.67) POLBKMT2AMEN1NPC1ALDH1A1

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-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed