SCHEMBL4432280

SCHEMBL4432280

COc1cc(CC(N)CO)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.53
CYP3A4 P08684 1/20 0.53
FOS P01100 1/20 0.44
TTR P02766 1/20 0.44
JUN P05412 1/20 0.44
NR3C1 P04150 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
LDHA P00338 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL7290411 0.85 LDHA (0.58) MMP1CYP3A4FOSTTRJUN
SCHEMBL7298435 0.85 LDHA (0.58) MMP1CYP3A4FOSTTRJUN
SCHEMBL10776070 0.85 LDHA (0.58) MMP1CYP3A4FOSTTRJUN
SCHEMBL6344277 0.83 CYP3A4 (0.71) MMP1CYP3A4FOSTTRJUN
SCHEMBL1047459 0.81 MMP1 (0.44) MMP1CYP3A4FOSTTRJUN
SCHEMBL5660141 0.80 DPP4 (0.50)
SCHEMBL11695436 0.79 ALOX15 (0.66) MMP1CYP3A4FOSTTRJUN
SCHEMBL7306975 0.79 ALOX15 (0.48) MMP1CYP3A4FOSTTRJUN
SCHEMBL27835674 0.79 FOS (0.51) MMP1CYP3A4FOSTTRJUN
SCHEMBL27853740 0.79 FOS (0.51) MMP1CYP3A4FOSTTRJUN

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-2114873-A2 LIGANDS FOR IMAGING CARDIAC INNERVATION Lantheus Medical Imaging, Inc. (US) 2009-11-11 EP disclosed
WO-2008083056-A2 LIGANDS FOR IMAGING CARDIAC INNERVATION LANTHEUS MEDICAL IMAGING, INC. (US) 2008-07-10 WO disclosed