SCHEMBL4419504

SCHEMBL4419504

O=C(O)C(=O)N(C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 6/20 0.39
HTT P42858 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GLA P06280 2/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
PAX8 Q06710 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
ALOX15 P16050 2/20 0.36
MEN1 O00255 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 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
SCHEMBL8610336 0.90 NPSR1 (0.50) NPSR1ALDH1A1HTTKMT2ANPC1
SCHEMBL891832 0.85 NPSR1 (0.55) NPSR1ALDH1A1HTTKMT2ANPC1
SCHEMBL5706292 0.80 NPSR1 (0.56) NPSR1ALDH1A1HTTKMT2ANPC1
SCHEMBL2363329 0.79 NPSR1 (0.40) NPSR1ALDH1A1HTTKMT2ANPC1
SCHEMBL7080162 0.76 NPSR1 (0.46) NPSR1ALDH1A1HTTKMT2ANPC1
SCHEMBL8583028 0.76 NPSR1 (0.46) NPSR1ALDH1A1HTTKMT2ANPC1
SCHEMBL1409829 0.76 NPSR1 (0.46) NPSR1ALDH1A1HTTKMT2ANPC1
SCHEMBL4690665 0.76 CRHBP (0.53) NPSR1ALDH1A1HTTKMT2ANPC1
SCHEMBL4690660 0.76 NPSR1 (0.46) NPSR1ALDH1A1HTTKMT2ANPC1
SCHEMBL9456609 0.75 NPSR1 (0.64) NPSR1ALDH1A1HTTKMT2ANPC1

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-20090220426-A1 Biodegradable Inverted-Opal Structure, Method for Manufacturing and Using the Same, and Medical Implant Comprising the Biodegradable Inverted-Opal Structure KINKI UNIVERSITY (JP) 2009-09-03 US disclosed