SCHEMBL9065819

SCHEMBL9065819

NCCCCCCN.O=C(O)N(CCO)CCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
THRB P10828 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PLG P00747 1/20 0.44
ALOX15 P16050 1/20 0.44
SLC6A2 P23975 1/20 0.44
RECQL P46063 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PAOX Q6QHF9 3/20 0.38
TSHR P16473 2/20 0.37
GABRR3 A8MPY1 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
HDAC3 O15379 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
SCHEMBL3510313 0.86 ALDH1A1 (0.33) ALDH1A1ALOX15TSHRCA12CA1
SCHEMBL31040409 0.86 LMNA (0.48) LMNATHRBKMT2AMEN1ALDH1A1
SCHEMBL31040378 0.84 LMNA (0.46) LMNATHRBKMT2AMEN1ALDH1A1
SCHEMBL31040390 0.84 LMNA (0.46) LMNATHRBKMT2AMEN1ALDH1A1
SCHEMBL25351334 0.84 LMNA (0.46) LMNATHRBKMT2AMEN1ALDH1A1
SCHEMBL6883197 0.83 CA12 (0.35) ALOX15CA12CA1CA2CA9
SCHEMBL2493116 0.83 CA12 (0.41) LMNAALDH1A1ALOX15SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL25353130 0.82 BLM (0.44) LMNATHRBKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL25354101 0.82 BLM (0.44) LMNATHRBKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL25355836 0.82 BLM (0.44) LMNATHRBKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0570077-B1 Curable compositions comprising glycidil ethers of hydroxyalkyl carbamates SHELL INT RESEARCH (NL) 1996-07-31 EP disclosed
EP-0570077-A2 Curable compositions comprising glycidil ethers of hydroxyalkyl carbamates SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-11-18 EP disclosed