SCHEMBL4562973

SCHEMBL4562973

NCC1(CN)CCCOC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
CACNA2D1 P54289 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1443404 0.84
SCHEMBL14016141 0.75
SCHEMBL8607807 0.75 EPHX1 (0.39) ALDH1A1
SCHEMBL17829135 0.73
SCHEMBL2848183 0.72
SCHEMBL25355528 0.71
SCHEMBL6124696 0.71
SCHEMBL25357013 0.71
SCHEMBL29821784 0.71
Hydrochloric Acid SCHEMBL25358115 0.70

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-2121570-A1 PROCESS FOR THE REDUCTIVE AMINATION OF ALDEHYDES AND KETONES Dow Global Technologies Inc. (US) 2009-11-25 EP disclosed
WO-2008076795-A1 PROCESS FOR THE REDUCTIVE AMINATION OF ALDEHYDES AND KETONES DOW GLOBAL TECHNOLOGIES INC. (US) 2008-06-26 WO disclosed