SCHEMBL7554796

SCHEMBL7554796

C=CCC1=C(CCCCC)Nc2ccccc2C=C1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
LIPG Q9Y5X9 1/20 0.31
GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL1246857 0.69 GAA (0.46) GAAMAPTLIPGGPR84
SCHEMBL11298721 0.68 GAA (0.44) GAAMAPT
SCHEMBL88563 0.67 LIPG (0.50) THRATHRBLIPG
Ammonia Solution, Strong SCHEMBL28810899 0.66 LIPG (0.49) THRATHRBLIPG
SCHEMBL4787984 0.66 LIPG (0.53) THRATHRBLIPG
SCHEMBL27462871 0.66 LIPG (0.53) THRATHRBLIPG
Iminostilbene SCHEMBL75288 0.65 MAPT (1.00) GAAMAPTTHRB
Iminostilbene SCHEMBL29926907 0.65 MAPT (1.00) GAAMAPTTHRB
SCHEMBL5181489 0.64 LIPG (0.51) THRATHRBLIPG
SCHEMBL9870733 0.64 MAPT (0.61) GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734398-B1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2002-02-27 EP disclosed
US-5773512-A Compounds and methods SMITHKLINE BEECHAM CORP. (US) 1998-06-30 US disclosed
EP-0734398-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 1997-04-16 EP disclosed
EP-0734398-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1996-10-02 EP disclosed
WO-1995016712-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1995-06-22 WO disclosed