SCHEMBL6887326

SCHEMBL6887326

CCC(C)(C)N.CCCCCN

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.63
TSHR P16473 3/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
ALDH1A1 P00352 1/20 0.63
EPHX1 P07099 1/20 0.63
NFKB1 P19838 1/20 0.39
FDPS P14324 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA3 P07451 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
THRB P10828 1/20 0.37

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
Tert-Butylamine SCHEMBL1570191 0.88 DNM1 (0.71) DNM1TSHRMEN1KMT2AALDH1A1
Tert-Butylamine SCHEMBL29180642 0.86 DNM1 (0.77) DNM1TSHRMEN1KMT2AALDH1A1
Tert-Butylamine SCHEMBL5515778 0.86 DNM1 (0.77) DNM1TSHRMEN1KMT2AALDH1A1
Decylamine SCHEMBL28061292 0.86 DNM1 (0.77) DNM1TSHRMEN1KMT2AALDH1A1
Octadecylamine SCHEMBL27497961 0.82 DNM1 (0.62) DNM1TSHRMEN1KMT2AALDH1A1
Dodecylamine SCHEMBL6472452 0.82 DNM1 (0.62) DNM1TSHRMEN1KMT2AALDH1A1
Octadecylamine SCHEMBL5394797 0.82 DNM1 (0.62) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL11498173 0.82 DNM1 (0.92) DNM1TSHRMEN1KMT2AALDH1A1
Hexane SCHEMBL29170825 0.82 DNM1 (0.92) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL7886 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713146-B2 SINGLY RECORDABLE COMPACT DISC (CD-R) BAYER AKTIENGESELLSCHAFT (DE) 2004-03-30 US claimed
US-20020127366-A1 Optical data stores containing a Co-phthalocyanine complex in the information layer recordable using light LANXESS DEUTSCHLAND GMBH (DE) 2002-09-12 US claimed
US-6713146-B2 SINGLY RECORDABLE COMPACT DISC (CD-R) BAYER AKTIENGESELLSCHAFT (DE) 2004-03-30 US disclosed
US-20020127366-A1 Optical data stores containing a Co-phthalocyanine complex in the information layer recordable using light LANXESS DEUTSCHLAND GMBH (DE) 2002-09-12 US disclosed