SCHEMBL4302898

SCHEMBL4302898

CCCCCCC1(C)C=CC=CN1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
ALOX12 P18054 1/20 0.30
KMT2A Q03164 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 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
Nonane SCHEMBL28055259 0.76 TSHR (0.32) TSHRTHRBMEN1KMT2A
SCHEMBL4432104 0.72
SCHEMBL8472532 0.71
SCHEMBL2698627 0.69 TSHR (0.42) TSHRTHRBMEN1KMT2AMMP2
SCHEMBL30355002 0.68 TSHR (0.36) TSHRTHRBMMP2MMP3MMP9
SCHEMBL30354999 0.68 TSHR (0.36) TSHRTHRBMMP2MMP3MMP9
SCHEMBL295586 0.68
SCHEMBL1704722 0.68
SCHEMBL19260901 0.67
SCHEMBL5326674 0.67

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-3349861-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND SILICIC ACID ESTERS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE Henkel AG & Co. KGaA (DE) 2018-07-25 EP disclosed
EP-3350296-A1 PERFUME COMPOSITION COMPRISING AN ODOR MODULATOR COMPOUND, AMINO ALCOHOL AND ODORIFEROUS ALDEHYDE AND/OR ODORIFEROUS KETONE FOR INCREASING AND PROLONGING ODOR INTENSITY Henkel AG & Co. KGaA (DE) 2018-07-25 EP disclosed
EP-3350295-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE Henkel AG & Co. KGaA (DE) 2018-07-25 EP disclosed
WO-2014121008-A1 NORBORNENYLHYDROCARBYLENE DIHYDROCARBYLBORANES AND METHODS OF MAKING THE SAME PROMERUS, LLC (US) 2014-08-07 WO disclosed
WO-2009133045-A1 NEW BORANE-AMINE COMPLEXES AND THEIR APPLICATION IN SUZUKI-TYPE CROSS -COUPLING REACTIONS BASF SE (DE) 2009-11-05 WO disclosed