SCHEMBL6536014

SCHEMBL6536014

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.43
CYP4A11 Q02928 3/20 0.43
CYP4Z1 Q86W10 4/20 0.40
CYP4F11 Q9HBI6 1/20 0.40
CYP4F12 Q9HCS2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS2 P35354 1/20 0.36
PDE4D Q08499 1/20 0.36
CYP1A2 P05177 1/20 0.36
MCL1 Q07820 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ALOX5 P09917 1/20 0.35
LTA4H P09960 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL14732588 0.84 TAS1R3 (0.40) ALDH1A1TDP1
SCHEMBL6536012 0.83 CYP4F2 (0.43) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL14732589 0.81 THRB (0.41) SMN1; SMN2ALDH1A1
SCHEMBL14732592 0.81 TDP1 (0.41) ALDH1A1TDP1
SCHEMBL14732599 0.80 THRB (0.42) SMN1; SMN2CYP1A2ALDH1A1CYP3A4
SCHEMBL6777451 0.79 CYP4F2 (0.68) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL23204169 0.78 CYP4Z1 (0.60) CYP4F2CYP4A11CYP4Z1CYP4F11CYP4F12
SCHEMBL13458248 0.76 CYP4Z1 (0.55) CYP4F2CYP4A11CYP4Z1SMN1; SMN2MAPK1
SCHEMBL26417023 0.74 MEN1 (0.43) CYP4F2CYP4A11MAPK1ALDH1A1TDP1
SCHEMBL6537071 0.74 ALDH1A1 (0.41) ALDH1A1TDP1

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