SCHEMBL16075889

SCHEMBL16075889

OCCNCCNCCN1CCN(CCO)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.52
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 4/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
SIGMAR1 Q99720 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP2D6 P10635 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34
PTPN11 Q06124 1/20 0.34
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL16078965 0.95 ACE2 (0.56) ACE2ALDH1A1KDM4EKMT2ALMNA
SCHEMBL21922782 0.93 ACE2 (0.58) ACE2ALDH1A1KDM4EKMT2ALMNA
SCHEMBL13187903 0.87 ACE2 (0.48) ACE2ALDH1A1KDM4ESIGMAR1CARM1
SCHEMBL17528479 0.86 CARM1 (0.48) ACE2ALDH1A1KDM4ESIGMAR1CARM1
SCHEMBL16504256 0.85 ACE2 (0.76) ACE2ALDH1A1KDM4EKMT2ALMNA
SCHEMBL16078964 0.85 ACE2 (0.63) ACE2ALDH1A1KDM4ELMNASIGMAR1
SCHEMBL18024002 0.84 ACE2 (0.50) ACE2ALDH1A1KDM4ESIGMAR1CARM1
SCHEMBL11369038 0.84 ACE2 (0.45) ACE2ALDH1A1KDM4EKMT2ALMNA
SCHEMBL8306450 0.84 CARM1 (0.50) ACE2ALDH1A1KDM4ESIGMAR1CARM1
SCHEMBL16920221 0.83 ACE2 (0.79) ACE2ALDH1A1KDM4EKMT2ALMNA

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
US-20150191645-A1 ANTI-AGGLOMERANTS FOR THE PREVENTION OF HYDRATES Lubrizol Oilfield Solutions, Inc. 2015-07-09 US disclosed
US-20140262319-A1 ENVIRONMENTALLY FRIENDLY PERMANENT QUATERNARIES OF POLYAMINES AND THEIR USE AS CLAY STABILIZERS AND METHODS FOR MAKING AND USING SAME Lubrizol Oilfield Solutions, Inc. 2014-09-18 US disclosed
US-20140262319-A1 ENVIRONMENTALLY FRIENDLY PERMANENT QUATERNARIES OF POLYAMINES AND THEIR USE AS CLAY STABILIZERS AND METHODS FOR MAKING AND USING SAME Lubrizol Oilfield Solutions, Inc. 2014-09-18 US disclosed