SCHEMBL3238964

SCHEMBL3238964

CCCCCCCCCCCCCCCCCOCCCCN

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
ALDH1A1 P00352 1/20 0.68
TSHR P16473 1/20 0.68
EPHX1 P07099 1/20 0.68
HTT P42858 2/20 0.56
THRB P10828 1/20 0.56
MAPT P10636 1/20 0.56
CES2 O00748 1/20 0.46
CYP3A4 P08684 1/20 0.45

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
SCHEMBL20363984 1.00 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL11551522 1.00 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL15923805 1.00 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL3239674 1.00 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL21657448 1.00 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL3235724 1.00 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL8014496 1.00 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL3242494 1.00 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL21318444 1.00 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL3240807 1.00 DNM1 (0.68) DNM1MEN1KMT2AALDH1A1TSHR

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