SCHEMBL9728848

SCHEMBL9728848

NC(CCCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.48
FOLH1 Q04609 11/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.42
NOD1 Q9Y239 1/20 0.41
GSR P00390 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
SCHEMBL10000704 0.99 OTC (0.49) OTCFOLH1SMN1; SMN2ALDH1A1GSR
SCHEMBL25629532 0.99 OTC (0.49) OTCFOLH1SMN1; SMN2ALDH1A1GSR
SCHEMBL10000707 0.92 SIGMAR1 (0.48) OTCFOLH1SMN1; SMN2ALDH1A1NOD1
SCHEMBL27323887 0.90 FOLH1 (0.43) OTCFOLH1SMN1; SMN2ALDH1A1
SCHEMBL20614501 0.90 FOLH1 (0.43) OTCFOLH1SMN1; SMN2ALDH1A1
SCHEMBL31429756 0.90 FOLH1 (0.43) OTCFOLH1SMN1; SMN2ALDH1A1
SCHEMBL16089032 0.89 FOLH1 (0.42) OTCFOLH1SMN1; SMN2ALDH1A1
SCHEMBL17246791 0.88 FOLH1 (0.53) FOLH1NOD1
SCHEMBL25629482 0.87 OTC (0.43) OTCFOLH1SMN1; SMN2ALDH1A1NOD1
SCHEMBL25358822 0.86 DRD2 (0.42) OTCFOLH1NOD1GSR

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
US-5162109-A MAGNETIC RESONANCE IMAGING AGENTS MALLINCKRODT MEDICAL, INC. (US) 1992-11-10 US disclosed