SCHEMBL7070405

SCHEMBL7070405

CC(C)OC(=O)C(C)C[NH]

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.34
HCAR2 Q8TDS4 1/20 0.33
CA12 O43570 3/20 0.30
CA1 P00915 3/20 0.30
CA2 P00918 3/20 0.30
CA7 P43166 3/20 0.30
CA9 Q16790 3/20 0.30
CA14 Q9ULX7 3/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL6743393 0.77 TSHR (0.43) TSHRLMNAHCAR2CA12CA1
SCHEMBL1387254 0.77
SCHEMBL4044174 0.77 TSHR (0.43) TSHRLMNAHCAR2CA12CA1
SCHEMBL17617132 0.77 TSHR (0.43) TSHRLMNAHCAR2CA12CA1
SCHEMBL13541326 0.77 TSHR (0.43) TSHRLMNAHCAR2CA12CA1
SCHEMBL580557 0.77 TSHR (0.43) TSHRLMNAHCAR2CA12CA1
SCHEMBL1866475 0.77 TSHR (0.43) TSHRLMNAHCAR2CA12CA1
SCHEMBL3890538 0.76 TSHR (0.39) TSHRLMNAHCAR2
SCHEMBL18502989 0.75 TSHR (0.42) TSHRLMNAHCAR2CA12CA1
SCHEMBL19525758 0.75 TSHR (0.42) TSHRLMNAHCAR2

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-1124903-B1 CATIONIC AZO-DYES BASF AG (DE) 2003-06-25 EP disclosed
US-6346609-B1 DISAZO DYES OR POLYAZO DYES BASF AKTIENGESELLSCHAFT (DE) 2002-02-12 US disclosed
EP-0955342-B1 Cationic azo dyes derived from aminobenzoic acid BASF AG (DE) 2001-07-11 EP disclosed
US-6048968-A CATIONIC AZO DYES BASF AKTIENGESELLSCHAFT (DE) 2000-04-11 US disclosed
EP-0955342-A1 Cationic azo dyes derived from aminobenzoic acid BASF AKTIENGESELLSCHAFT (DE) 1999-11-10 EP disclosed