SCHEMBL14367111

SCHEMBL14367111

COc1ccc(C(=O)C(=O)Oc2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.55
CES1 P23141 2/20 0.55
AKR1C3 P42330 1/20 0.55
CYP11B1 P15538 3/20 0.51
CYP11B2 P19099 3/20 0.51
PTGS2 P35354 4/20 0.50
PTGS1 P23219 3/20 0.48
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GFER P55789 1/20 0.47

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
SCHEMBL17230531 0.84 SMN1; SMN2 (0.58) AKR1C3PTGS2PTGS1MAPTMEN1
SCHEMBL14393180 0.84 CYP11B1 (0.48) CYP11B1CYP11B2PTGS2MEN1KMT2A
SCHEMBL3468454 0.82 AKR1C3 (0.61) AKR1C3PTGS2PTGS1MAPTMEN1
SCHEMBL19859448 0.80 ENPP2 (0.47) AKR1C3CYP11B1CYP11B2PTGS2KMT2A
SCHEMBL280156 0.79 PKM (0.70) AKR1C3PTGS2PTGS1
SCHEMBL11986371 0.79 PKM (0.70) AKR1C3PTGS2PTGS1
SCHEMBL14367117 0.79 CA1 (0.72) CES2CES1MAPTMEN1KMT2A
SCHEMBL14367103 0.75 CES2 (0.55) CES2CES1CYP11B1CYP11B2MAPT
SCHEMBL19212940 0.75 CYP11B1 (0.64) AKR1C3CYP11B1CYP11B2PTGS2
SCHEMBL7090594 0.74 CES2 (0.70) CES2CES1PTGS2MAPTMEN1

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-7288360-B2 Image recording material FUJIFILM CORPORATION (JP) 2007-10-30 US disclosed