SCHEMBL13480835

SCHEMBL13480835

O=C1[C@@H]2C3CCC(O3)[C@@H]2C(=O)N1c1ccc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
HSP90AA1 P07900 1/20 0.50
SLC6A2 P23975 6/20 0.46
SLC6A4 P31645 6/20 0.46
SLC6A3 Q01959 5/20 0.46
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3180536 1.00 L3MBTL1 (0.52) L3MBTL1HSP90AA1SLC6A2SLC6A4SLC6A3
SCHEMBL3194699 1.00 L3MBTL1 (0.52) L3MBTL1HSP90AA1SLC6A2SLC6A4SLC6A3
SCHEMBL3180518 1.00 L3MBTL1 (0.52) L3MBTL1HSP90AA1SLC6A2SLC6A4SLC6A3
SCHEMBL3179411 0.81 HSP90AA1 (0.53) HSP90AA1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL13480838 0.81 HSP90AA1 (0.53) HSP90AA1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL3179405 0.81 HSP90AA1 (0.53) HSP90AA1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL7172086 0.81 HSP90AA1 (0.53) HSP90AA1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL6061340 0.81 HSP90AA1 (0.53) HSP90AA1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL5241683 0.81 TP53 (0.51) L3MBTL1HSP90AA1ALDH1A1CYP2C19MAPT
SCHEMBL15836588 0.80 MEN1 (0.65) L3MBTL1ALDH1A1CYP2C9CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655689-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
US-7655689-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
US-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed
US-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed
US-7470797-B2 Fused heterocyclic imido and amido compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470797-B2 Fused heterocyclic imido and amido compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed