SCHEMBL9545129

SCHEMBL9545129

CCCCCCCCCCCCCN(C(=N)NC1CCCCC1)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.48
EPHX1 P07099 12/20 0.47
EPHX2 P34913 3/20 0.47
ICMT O60725 1/20 0.41
ALB P02768 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4102397 0.85 EPHX1 (0.39) SIGMAR1EPHX1MEN1KMT2A
SCHEMBL27510927 0.84 EPHX1 (0.52) SIGMAR1EPHX1EPHX2ICMTALB
Hydrochloric Acid SCHEMBL9429210 0.84 EPHX1 (0.37) SIGMAR1EPHX1EPHX2KMT2A
SCHEMBL9351634 0.82 EPHX1 (0.51) SIGMAR1EPHX1EPHX2ICMTALB
SCHEMBL22023395 0.78 NAAA (0.46) EPHX1EPHX2
SCHEMBL28004819 0.77 EPHX1 (0.49) EPHX1EPHX2
SCHEMBL27890662 0.75 SIGMAR1 (0.44) SIGMAR1EPHX1EPHX2ICMTALB
Hydrochloric Acid SCHEMBL27874319 0.74 SIGMAR1 (0.46) SIGMAR1EPHX1EPHX2ICMTALB
SCHEMBL19267156 0.74 ADH1A (0.39) SIGMAR1EPHX1EPHX2
SCHEMBL9632611 0.74 THRA (0.43) EPHX1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993016173-A1 DECOLORIZATION AND DEODORIZATION OF FERMENTATION BROTH BY TREATMENT WITH STRONGLY BASIC EXTRACTANTS COGNIS, INC. (US) 1993-08-19 WO disclosed