SCHEMBL9250685

SCHEMBL9250685

CCCCc1nc(Cl)c(CC(=O)OCC)c(Cc2ccc(C(=O)OC(C)(C)C)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.34
PTGS1 P23219 1/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
PTGS2 P35354 3/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PLG P00747 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
SCHEMBL8807918 0.90 AGTR1 (0.40) SMOPTGS1AGTR1AGTR2
SCHEMBL9250317 0.90 DHFR (0.40) MAPTSMN1; SMN2PTGS2
SCHEMBL9254231 0.88 AGTR1 (0.44) POLBL3MBTL1SMN1; SMN2AGTR1AGTR2
Acetic Acid SCHEMBL9250689 0.86 AGTR1 (0.34) SMOPTGS1AGTR1AGTR2
SCHEMBL9249723 0.84 ALDH1A1 (0.45) POLBL3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL8806788 0.79 AGTR1 (0.42) MAPTSMN1; SMN2AGTR1AGTR2
SCHEMBL9249385 0.78 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9254655 0.76 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL1228189 0.76 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9257344 0.76 KDM4E (0.42) L3MBTL1LMNAMAPT

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-5474996-A Angiotension II inhibitors ROUSSEL UCLAF (FR) 1995-12-12 US disclosed