SCHEMBL11069375

SCHEMBL11069375

CCC(C)OC(=O)C(C(C)=O)C(C(=O)C(=O)O)c1ccccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
CNR2 P34972 1/20 0.36
POLB P06746 2/20 0.34
ACP3 P15309 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
EPHX2 P34913 1/20 0.33
PPARG P37231 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD11B1 P28845 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL11072384 0.77 MAPT (0.35) MAPTSMN1; SMN2HPGDCNR2POLB
SCHEMBL11069369 0.77 CASP1 (0.39) CNR2KDM4EKMT2ASLC5A1SLC5A2
SCHEMBL11265183 0.73 EPHX2 (0.38) SMN1; SMN2HPGDCNR2ACP3KDM4E
SCHEMBL11387511 0.72 HPGD (0.32) SMN1; SMN2HPGDPOLBKMT2APPARG
SCHEMBL11388184 0.68 ALDH1A1 (0.41) MAPTSMN1; SMN2POLBMAPK1KMT2A
Acetic Acid SCHEMBL10562657 0.66 ACP3 (0.47) SMN1; SMN2HPGDCNR2POLBACP3
SCHEMBL7175765 0.66 MAPT (0.40) MAPTSMN1; SMN2POLBMAPK1KMT2A
SCHEMBL29268488 0.66 EPHX2 (0.46) SMN1; SMN2CNR2POLBACP3MAPK1
Hydrochloric Acid SCHEMBL4512926 0.66 CNR2 (0.44) MAPTSMN1; SMN2HPGDCNR2POLB
SCHEMBL1927969 0.65 CNR2 (0.49) CNR2POLBACP3MAPK1PPARG

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-4435395-A HYPOTENSIVE AGENTS USV PHARMACEUTICAL CORPORATION (US) 1984-03-06 US disclosed