SCHEMBL9069552

SCHEMBL9069552

CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)C(OC(=O)CCCCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK2 O00142 4/20 0.53
P2RY12 Q9H244 3/20 0.48
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
CA14 Q9ULX7 4/20 0.46
P2RY2 P41231 2/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC28A1 O00337 1/20 0.43
SLC28A2 O43868 1/20 0.43
SLC29A1 Q99808 1/20 0.43
SLC28A3 Q9HAS3 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9069522 0.96 CA12 (0.49) TK2P2RY12CA12CA1CA2
SCHEMBL25402244 0.95 LMNA (0.50) TK2P2RY12P2RY2LMNATHRB
SCHEMBL5566835 0.92 CA12 (0.47) P2RY12CA12CA1CA2CA9
SCHEMBL5531486 0.91 TK2 (0.61) TK2P2RY12P2RY2SLC28A1SLC28A2
SCHEMBL7398474 0.91 SLC28A1 (0.44) TK2P2RY2LMNATHRBSMN1; SMN2
SCHEMBL5531119 0.91 TK2 (0.61) TK2P2RY12P2RY2SLC28A1SLC28A2
SCHEMBL18166816 0.91 TLR4 (0.46) TK2P2RY12CA12CA1CA2
SCHEMBL5561799 0.86 SLC28A1 (0.58) P2RY12P2RY2SLC28A1SLC28A2SLC29A1
SCHEMBL5566439 0.86 SLC28A1 (0.58) P2RY12P2RY2SLC28A1SLC28A2SLC29A1
SCHEMBL2984123 0.86 SLC28A1 (0.58) P2RY12P2RY2SLC28A1SLC28A2SLC29A1

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-5583117-A CARDIOVASCULAR, NERVOUS SYSTEM DISORDERS; DIABETES PRO-NEURON, INC. (US) 1996-12-10 US disclosed