SCHEMBL4854895

SCHEMBL4854895

NC(Cc1c[nH]c(I)n1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP1A2 P05177 1/20 0.44
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
BLM P54132 3/20 0.41
PMP22 Q01453 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.41
HIF1A Q16665 2/20 0.41
MPO P05164 1/20 0.41
PKM P14618 2/20 0.41
ALPI P09923 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 2/20 0.38

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
SCHEMBL4854899 1.00 SLC7A5 (0.45) SLC7A5CYP3A4CYP1A2KDM4ELMNA
SCHEMBL25660495 0.85 SLC7A5 (0.46) SLC7A5CYP3A4CYP1A2KDM4ELMNA
SCHEMBL59809 0.81 SLC7A5 (0.46) SLC7A5CYP3A4CYP1A2KDM4ELMNA
SCHEMBL59808 0.81 SLC7A5 (0.46) SLC7A5CYP3A4CYP1A2KDM4ELMNA
SCHEMBL1641338 0.80 SLC7A5 (0.45) SLC7A5CYP3A4CYP1A2KDM4ELMNA
SCHEMBL15349976 0.80 SLC7A5 (0.45) SLC7A5CYP3A4CYP1A2KDM4ELMNA
SCHEMBL10404524 0.80 SLC7A5 (0.45) SLC7A5CYP3A4CYP1A2KDM4ELMNA
SCHEMBL1539193 0.80 SLC7A5 (0.45) SLC7A5CYP3A4CYP1A2KDM4ELMNA
SCHEMBL457890 0.80 CYP3A4 (0.45) SLC7A5CYP3A4CYP1A2KDM4ELMNA
SCHEMBL1065160 0.80 SLC7A5 (0.45) SLC7A5CYP3A4CYP1A2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004021981-A2 METHODS FOR THE PREPARATION OF β-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2004-03-18 WO claimed
US-20030113882-A1 Methods for the preparation of beta-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-06-19 US claimed
US-7452701-B2 Methods for the preparation of β-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-11-18 US disclosed
WO-2004021981-A2 METHODS FOR THE PREPARATION OF β-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2004-03-18 WO disclosed
US-20030113882-A1 Methods for the preparation of beta-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-06-19 US disclosed
EP-0308983-A2 NMR imaging with Mn(II) coordination compositions SALUTAR, INC. (US) 1989-03-29 EP disclosed