SCHEMBL3790945

SCHEMBL3790945

CCCCCCN(CCCCCC)C(C)(C)CN

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 11/20 0.42
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHX1 P07099 1/20 0.40
THRB P10828 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
GBA1 P04062 1/20 0.32
FDPS P14324 1/20 0.32

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
SCHEMBL3792047 0.98 DNM1 (0.39) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL3787341 0.91 DNM1 (0.32) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL3787441 0.80 CYP2D6 (0.33)
SCHEMBL30291001 0.79 DNM1 (0.44) DNM1TSHRTHRBCA12CA1
SCHEMBL18387850 0.78 DNM1 (0.42) DNM1TSHRTHRBCA12CA1
Bromide SCHEMBL31249480 0.77 DNM1 (0.46) DNM1TSHRTHRBCA12CA1
Bromide SCHEMBL30528224 0.77 DNM1 (0.46) DNM1TSHRTHRBCA12CA1
SCHEMBL28928935 0.76 DNM1 (0.40) DNM1TSHRTHRBCA12CA1
SCHEMBL10705836 0.75 DNM1 (0.50) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL14997774 0.75 DNM1 (0.50) DNM1TSHRMEN1KMT2AALDH1A1

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-2157215-B1 POLYURETHANE ELASTIC FIBER ASAHI KASEI FIBERS CORP (JP) 2011-12-28 EP disclosed
US-20100184347-A1 POLYURETHANE ELASTIC FIBERS ASAHI KASEI FIBERS CORPORATION (JP) 2010-07-22 US disclosed
EP-2157215-A1 POLYURETHANE ELASTIC FIBER Asahi Kasei Fibers Corporation (JP) 2010-02-24 EP disclosed