SCHEMBL1119634

SCHEMBL1119634

C[C]1CCCC(C(C)C)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL3194311 0.85
SCHEMBL20341662 0.74 THRB (0.55) THRBNOS3NOS1NOS2
SCHEMBL715938 0.74 THRB (0.55) THRBNOS3NOS1NOS2
SCHEMBL19866444 0.74 THRB (0.31) THRBNOS3NOS1NOS2
SCHEMBL14407001 0.74 THRB (0.55) THRBNOS3NOS1NOS2
SCHEMBL28988269 0.70
SCHEMBL340735 0.69 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL31473489 0.68
SCHEMBL2690796 0.68 THRB (0.49) THRB
SCHEMBL25159078 0.67 CYP19A1 (0.35)

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-2280965-A1 THIAZOL-4-CARBOXYLIC ACID ESTERS AND THIOESTERS AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2011-02-09 EP disclosed
WO-2009132785-A1 THIAZOL-4-CARBOXYLIC ACID ESTERS AND THIOESTERS AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT 2009-11-05 WO disclosed
US-4353826-A ANTITUBERCULAR ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1982-10-12 US disclosed
US-4261891-A BACTERICIDES, ANTITUBERCULAR AGENTS CIBA-GEIGY CORPORATION (US) 1981-04-14 US disclosed
US-4005077-A DERIVATIVES OF RIFAMYCIN S OR SV CIBA-GEIGY CORPORATION (US) 1977-01-25 US disclosed