SCHEMBL6536012

SCHEMBL6536012

C=Cc1ccc(CSOC(=O)CCC(=O)OCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
CYP4Z1 Q86W10 4/20 0.39
CYP4F11 Q9HBI6 1/20 0.37
CYP4F12 Q9HCS2 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.35
DRD2 P14416 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL6536014 0.83 CYP4F2 (0.43) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL6777451 0.79 CYP4F2 (0.68) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL13458248 0.76 CYP4Z1 (0.55) CYP4F2CYP4A11CYP4Z1SMN1; SMN2ALDH1A1
SCHEMBL23204169 0.75 CYP4Z1 (0.60) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL28860882 0.75 ALDH1A1 (0.42) ALOX15SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL26417023 0.74 MEN1 (0.43) CYP4F2CYP4A11ALDH1A1MAPTMEN1
Succinic Acid Diethyl Ester SCHEMBL28424018 0.72 SMN1; SMN2 (0.49) CYP4F2CYP4A11SMN1; SMN2ALDH1A1MAPT
SCHEMBL14732503 0.72 MEN1 (0.46) CYP4F2CYP4A11CYP4Z1ALOX15ALDH1A1
SCHEMBL19398652 0.71 CYP4F2 (0.41) CYP4F2CYP4A11CYP4Z1SMN1; SMN2ALDH1A1
SCHEMBL8436879 0.70 CYP2C19 (0.44) ALDH1A1MEN1KMT2ACYP2C19HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412512-A4 DETECTION OF RAS MUTATIONS ORTHO CLINICAL DIAGNOSTICS INC (US) 2004-04-28 EP disclosed
EP-1412512-A2 DETECTION OF RAS MUTATIONS Ortho-Clinical Diagnostics, Inc. (US) 2004-04-28 EP disclosed
WO-2002029005-A2 DETECTION OF RAS MUTATIONS ORTHO-CLINICAL DIAGNOSTICS, INC. (US) 2002-04-11 WO disclosed