SCHEMBL3241476

SCHEMBL3241476

CCCCCCCC(CCCC)OCCCCN

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.60
TLR2 O60603 6/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
EPHX1 P07099 1/20 0.50

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
SCHEMBL3232004 0.94 DNM1 (0.57) DNM1TLR2MEN1KMT2AALDH1A1
SCHEMBL7943619 0.92 DNM1 (0.59) DNM1TLR2MEN1KMT2AALDH1A1
SCHEMBL1151950 0.92 DNM1 (0.59) DNM1TLR2MEN1KMT2AALDH1A1
SCHEMBL7941081 0.92 DNM1 (0.59) DNM1TLR2MEN1KMT2AALDH1A1
SCHEMBL7943647 0.92 DNM1 (0.59) DNM1TLR2MEN1KMT2AALDH1A1
SCHEMBL2352070 0.90 DNM1 (0.62) DNM1TLR2MEN1KMT2AALDH1A1
Bromide SCHEMBL28653534 0.90 DNM1 (0.57) DNM1TLR2MEN1KMT2AALDH1A1
SCHEMBL11179946 0.90 DNM1 (0.59) DNM1TLR2ALDH1A1TSHR
SCHEMBL11674787 0.90 DNM1 (0.59) DNM1TLR2ALDH1A1TSHR
SCHEMBL11182917 0.90 DNM1 (0.59) DNM1TLR2ALDH1A1TSHR

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-1184364-B1 COMB-SHAPED DIOL, WATER-SOLUBLE POLYURETHANE, AND USE THEREOF MITSUI CHEMICALS INC (JP) 2010-07-28 EP disclosed
US-6515050-B1 An extruding auxiliary using the above novel water-soluble polyurethane; additive for underwater concrete MITSUI CHEMICALS, INC. (JP) 2003-02-04 US disclosed
EP-1184364-A1 COMB-SHAPED DIOL, WATER-SOLUBLE POLYURETHANE, AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2002-03-06 EP disclosed