SCHEMBL8535684

SCHEMBL8535684

CCCCS[CH]SCCCC

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
LMNA P02545 1/20 0.38
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
THRB P10828 1/20 0.35
ALDH1A1 P00352 2/20 0.32
CES1 P23141 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8542086 0.90 TSHR (0.41) TSHRLMNATHRB
SCHEMBL6688538 0.85
SCHEMBL8190611 0.79
SCHEMBL14446361 0.75
SCHEMBL6702933 0.75
SCHEMBL2831677 0.75
SCHEMBL1337936 0.75
SCHEMBL1679196 0.75
SCHEMBL123011 0.73
SCHEMBL198708 0.73 TSHR (0.39) TSHRLMNANOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0884311-A2 Triazole Derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1998-12-16 EP disclosed
US-5807806-A Benzoylpyrazole derivatives having specific substituents and herbicide NIPPON SODA CO., LTD. (JP) 1998-09-15 US disclosed
EP-0853626-A1 SUBSTITUTED PHOSPHINIC COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Novartis AG (CH) 1998-07-22 EP disclosed
WO-1997009335-A1 SUBSTITUTED PHOSPHINIC COMPOUNDS AND THEIR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 1997-03-13 WO disclosed
US-5554582-A Cyclohexenone compounds, their preparation and their use for controlling undesirable plant growth BASF AKTIENGESELLSCHAFT (DE) 1996-09-10 US disclosed
US-5545631-A GAMMA-AMINOBUTYRIC ACID ANTAGONIST; TREATS PETIT-MAL TYPE EPILEPSIES CIBA-GEIGY CORPORATION (US) 1996-08-13 US disclosed
EP-0463560-B1 New antiepileptic agents CIBA GEIGY AG (CH) 1995-10-25 EP disclosed
US-5424441-A Nootropic, antiepileptic agents CIBA-GEIGY CORPORATION (US) 1995-06-13 US disclosed
US-5407922-A GABA antagonists CIBA-GEIGY CORPORATION (US) 1995-04-18 US disclosed
US-5332729-A Nootropic, antiepileptic agents CIBA-GEIGY CORPORATION (US) 1994-07-26 US disclosed
EP-0569333-A2 Novel N-aralkyl and N-heteroaralkylamino alcane phosphinic acids CIBA-GEIGY AG (CH) 1993-11-10 EP disclosed
US-5229379-A Gamma-aminobutyric acid antagonists CIBA-GEIGY CORPORATION (US) 1993-07-20 US disclosed
EP-0319835-B1 CYCLOHEXENONE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AGAINST THE GROWTH OF UNDESIRED PLANTS BASF Aktiengesellschaft (DE) 1993-03-10 EP disclosed
EP-0463560-A1 New antiepileptic agents CIBA-GEIGY AG (CH) 1992-01-02 EP disclosed
EP-0319835-A2 Cyclohexenone compounds, process for their preparation and their use against the growth of undesired plants BASF Aktiengesellschaft (DE) 1989-06-14 EP disclosed