SCHEMBL9429751

SCHEMBL9429751

CCOC(=O)Cc1ccccc1Oc1ccc(CBr)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.44
PKM P14618 1/20 0.42
FFAR1 O14842 1/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
HTR2A P28223 1/20 0.40
CYP2D6 P10635 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
P2RX3 P56373 1/20 0.39
PRMT5 O14744 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL9042004 0.86 ALDH1A1 (0.45) FFAR1SLC6A4SLC6A2SLC6A3CYP4F2
SCHEMBL2558706 0.86 SLC6A4 (0.54) TBXAS1PKMSLC6A4SLC6A2SLC6A3
SCHEMBL9429974 0.86 SLC6A4 (0.54) TBXAS1PKMSLC6A4SLC6A2SLC6A3
SCHEMBL28575436 0.86 SLC6A2 (0.49) TBXAS1PKMSLC6A4SLC6A2SLC6A3
SCHEMBL2557868 0.84 TBXAS1 (0.46) TBXAS1PKMSLC6A4SLC6A2SLC6A3
SCHEMBL1146416 0.84 HTR2A (0.54) TBXAS1PKMSLC6A4SLC6A2SLC6A3
SCHEMBL6651903 0.81 SLC6A4 (0.56) TBXAS1PKMSLC6A4SLC6A2SLC6A3
SCHEMBL2562349 0.80 LMNA (0.47) TBXAS1PKMMAPTL3MBTL1ALDH1A1
SCHEMBL1643059 0.79 F10 (0.46) PKMFFAR1SLC6A4SLC6A2SLC6A3
SCHEMBL11511051 0.79 HTR2A (0.48) TBXAS1SLC6A4SLC6A2SLC6A3MAPT

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
US-5373015-A Treating hypertension and congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-12-13 US disclosed
EP-0539066-A1 Heterocyclic compounds useful as angiotensin II antagonists ZENECA LIMITED (GB) 1993-04-28 EP disclosed