SCHEMBL14788950

SCHEMBL14788950

CCC1(CCCCF)C(=O)NC(=O)NC1=O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
ALDH1A1 P00352 1/20 0.46
MMP9 P14780 13/20 0.45
MMP2 P08253 12/20 0.45
MMP8 P22894 11/20 0.45
MMP13 P45452 11/20 0.45
MMP3 P08254 1/20 0.36
TP53 P04637 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
SCHEMBL14788924 0.98 LMNA (0.57) LMNAALDH1A1MMP9MMP2MMP8
SCHEMBL14782938 0.98 LMNA (0.57) LMNAALDH1A1MMP9MMP2MMP8
SCHEMBL14788925 0.94 LMNA (0.61) LMNAALDH1A1MMP9MMP2MMP8
SCHEMBL918796 0.84 LMNA (0.64) LMNAALDH1A1MMP9MMP2MMP8
SCHEMBL4379822 0.82 MMP9 (0.63) LMNAALDH1A1MMP9MMP2MMP8
SCHEMBL4382583 0.82 MMP9 (0.63) LMNAALDH1A1MMP9MMP2MMP8
SCHEMBL712742 0.82 MMP9 (0.63) LMNAALDH1A1MMP9MMP2MMP8
SCHEMBL4390355 0.82 MMP9 (0.63) LMNAALDH1A1MMP9MMP2MMP8
SCHEMBL9694966 0.82 LMNA (0.61) LMNAALDH1A1MMP9MMP2MMP8
Butethal SCHEMBL44262 0.82 LMNA (0.67) LMNAALDH1A1MMP9MMP2MMP8

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-2013038153-A1 18F-LABELLED BARBITURATE COMPOUNDS FOR USE AS POSITRON EMISSION IMAGING AGENTS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2013-03-21 WO disclosed