SCHEMBL4560425

SCHEMBL4560425

Cc1[nH]c(=O)[nH]c(=O)c1C.Cc1[nH]c(=O)[nH]c(=O)c1C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.56
NPC1 O15118 1/20 0.42
ATAD2 Q6PL18 1/20 0.39
GDA Q9Y2T3 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA1 P00915 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.33
PNP P00491 1/20 0.33

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
SCHEMBL1445690 1.00 TYMP (0.56) TYMPNPC1ATAD2GDALMNA
SCHEMBL5163518 0.74 TYMP (0.48) TYMPNPC1ATAD2GDALMNA
SCHEMBL31376425 0.74 TYMP (0.54) TYMPATAD2GDACA1PNP
SCHEMBL10021065 0.73 PDE3B (0.45) TYMPALDH1A1KMT2APDE3BPDE3A
SCHEMBL2888237 0.72 TYMP (0.52) TYMPNPC1LMNAPDE3BPDE3A
SCHEMBL4560955 0.72 TYMP (0.52) TYMPNPC1SMN1; SMN2PDE3BPDE3A
SCHEMBL4560171 0.72 TYMP (0.52) TYMPNPC1ATAD2GDALMNA
SCHEMBL2891489 0.72 TYMP (0.52) TYMPNPC1SMN1; SMN2PDE3BPDE3A
SCHEMBL13932516 0.72 TYMP (0.41) TYMPNPC1ATAD2GDALMNA
SCHEMBL4561126 0.72 TYMP (0.52) TYMPNPC1LMNAPDE3BPDE3A

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-7557175-B2 Poly(carbonate-co-urea) copolymers and melt transesterification method of preparing these copolymers SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2009-07-07 US disclosed