SCHEMBL9429974

SCHEMBL9429974

CCOC(=O)Cc1ccccc1Oc1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.54
HTR2A P28223 1/20 0.54
TBXAS1 P24557 1/20 0.47
PKM P14618 1/20 0.46
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.42
P2RY10 O00398 1/20 0.42
CYP2D6 P10635 1/20 0.42
POLB P06746 1/20 0.41
P2RX3 P56373 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
CRHBP P24387 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL28575436 0.91 SLC6A2 (0.49) SLC6A4TBXAS1PKMMAPTSLC6A2
SCHEMBL1146416 0.89 HTR2A (0.54) SLC6A4HTR2ATBXAS1PKMMAPT
SCHEMBL2558706 0.89 SLC6A4 (0.54) SLC6A4HTR2ATBXAS1PKMMAPT
SCHEMBL2557868 0.89 TBXAS1 (0.46) SLC6A4HTR2ATBXAS1PKMMAPT
SCHEMBL6935863 0.87 SLC6A4 (0.55) SLC6A4HTR2AMAPTHTTSLC6A2
SCHEMBL9429751 0.86 TBXAS1 (0.44) SLC6A4HTR2ATBXAS1PKMMAPT
SCHEMBL6651903 0.85 SLC6A4 (0.56) SLC6A4TBXAS1PKMMAPTSLC6A2
SCHEMBL2562349 0.84 LMNA (0.47) TBXAS1PKMMAPTLMNAPOLB
SCHEMBL11511051 0.83 HTR2A (0.48) SLC6A4HTR2ATBXAS1MAPTSLC6A2
SCHEMBL5024669 0.81 SLC6A4 (0.67) SLC6A4HTR2AMAPTHTTSLC6A2

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