SCHEMBL6168328

SCHEMBL6168328

[CH2]C(CCOC(C)C)OCCCC

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL28481002 0.92 DNM1 (0.31) DNM1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL6903240 0.87 LMNA (0.31)
SCHEMBL5104308 0.82 ADRB2 (0.36) DNM1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL3391758 0.82 ADRB2 (0.36) DNM1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL126499 0.82
SCHEMBL28033462 0.81 TSHR (0.43) DNM1ADRB2ADRB1ADRB3
SCHEMBL27882987 0.80 DNM1 (0.39) DNM1ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL29289373 0.79
SCHEMBL8419757 0.79 TSHR (0.37) DNM1ADRB2ADRB1ADRB3
SCHEMBL9453390 0.79 CYP3A4 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513841-A1 1,6,9,14-TETRASUBSTITUTED TERRYLENE TETRACARBOXYLIC ACID DIIMIDES BASF AKTIENGESELLSCHAFT (DE) 2005-03-16 EP disclosed
WO-2003104232-A1 1,6,9,14-TETRASUBSTITUTED TERRYLENE TETRACARBOXYLIC ACID DIIMIDES BASF AKTIENGESELLSCHAFT (DE) 2003-12-18 WO disclosed
US-5484460-A FOR USE IN DYEING OR PRINTING TEXTILES BASF AKTIENGESELLSCHAFT (DE) 1996-01-16 US disclosed