SCHEMBL8415958

SCHEMBL8415958

CCOC(CNC1CCC(C(=O)OC)CC1)OCC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
PDE7A Q13946 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
METAP1 P53582 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
EPHX1 P07099 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL8415956 1.00 GAA (0.40) GAAPOLBTP53ALDH1A1SMN1; SMN2
SCHEMBL2265394 0.83 KDM4E (0.35) METAP1MEN1KMT2AKDM4E
SCHEMBL7169967 0.82 SMYD3 (0.40) GAAPOLBTP53ALDH1A1SMN1; SMN2
SCHEMBL2586406 0.81 GAA (0.43) GAATP53SMN1; SMN2CHRNB2CHRNA4
SCHEMBL2586404 0.81 GAA (0.43) GAATP53SMN1; SMN2CHRNB2CHRNA4
SCHEMBL1722156 0.78 GAA (0.44) GAAPOLBTP53ALDH1A1SMN1; SMN2
SCHEMBL1722155 0.78 GAA (0.44) GAAPOLBTP53ALDH1A1SMN1; SMN2
SCHEMBL7368625 0.78 EPHX2 (0.31) METAP1SMYD3
SCHEMBL7419066 0.77 EPHX2 (0.35) ALDH1A1MEN1KMT2ASMYD3
SCHEMBL9056470 0.77 EPHX2 (0.35) ALDH1A1MEN1KMT2ASMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed