SCHEMBL232587

SCHEMBL232587

NCCCCC(NC(=O)CCCN)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.65
FOLH1 Q04609 2/20 0.65
GNPAT O15228 1/20 0.56
NOD1 Q9Y239 5/20 0.54
GSR P00390 1/20 0.47
NMT2 O60551 1/20 0.47
NMT1 P30419 1/20 0.47
SLC15A2 Q16348 1/20 0.46
CPB2 Q96IY4 4/20 0.46
RNPEP Q9H4A4 1/20 0.46
C3AR1 Q16581 1/20 0.45

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
SCHEMBL232527 1.00 SLC6A5 (0.65) SLC6A5FOLH1GNPATNOD1GSR
SCHEMBL3496668 0.95 SLC6A5 (0.72) SLC6A5FOLH1GNPATNOD1GSR
SCHEMBL16927658 0.95 SLC6A5 (0.72) SLC6A5FOLH1GNPATNOD1GSR
SCHEMBL7027659 0.95 SLC6A5 (0.72) SLC6A5FOLH1GNPATNOD1GSR
SCHEMBL7027662 0.95 SLC6A5 (0.72) SLC6A5FOLH1GNPATNOD1GSR
SCHEMBL3496665 0.95 SLC6A5 (0.72) SLC6A5FOLH1GNPATNOD1GSR
SCHEMBL4272196 0.93 FOLH1 (0.65) SLC6A5FOLH1GNPATNOD1GSR
SCHEMBL482959 0.93 FOLH1 (0.65) SLC6A5FOLH1GNPATNOD1GSR
SCHEMBL19051475 0.91 FOLH1 (0.69) SLC6A5FOLH1GNPATNOD1NMT2
SCHEMBL16242828 0.91 FOLH1 (0.69) SLC6A5FOLH1GNPATNOD1NMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022150726-A1 HYPOIMMUNOGENIC BIOTHERAPEUTICS OSPREY BIOPHARMACEUTICALS, INC. (US) 2022-07-14 WO disclosed
EP-2279417-B1 METABOLIC BIOMARKERS FOR OVARIAN CANCER AND METHODS OF USE THEREOF GEORGIA TECH RES INST (US) 2016-07-20 EP disclosed
US-20120004854-A1 METABOLIC BIOMARKERS FOR OVARIAN CANCER AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION 2012-01-05 US disclosed