SCHEMBL10970992

SCHEMBL10970992

Cc1ccc(S(=O)(=O)OC(C(O)c2ccccc2)C(O)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
CYP2D6 P10635 1/20 0.43
PKM P14618 1/20 0.42
VDR P11473 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GMNN O75496 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CA12 O43570 2/20 0.39

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
SCHEMBL16377449 0.84 VDR (0.47) MAPK1CYP2D6PKMVDRHTT
SCHEMBL9475352 0.80 VDR (0.46) MAPK1CYP2D6VDRHTTSMN1; SMN2
SCHEMBL6762680 0.80 VDR (0.46) MAPK1CYP2D6VDRHTTSMN1; SMN2
SCHEMBL491994 0.79 VDR (0.45) MAPK1CYP2D6VDRHTTSMN1; SMN2
SCHEMBL11988007 0.79 VDR (0.45) MAPK1CYP2D6VDRHTTSMN1; SMN2
SCHEMBL6337405 0.78 MAPK1 (0.46) MAPK1CYP2D6PKMVDRHTT
SCHEMBL11260413 0.78 KEAP1 (0.46) MAPK1CYP2D6PKMVDRHTT
SCHEMBL30190441 0.78 PKM (0.45) MAPK1CYP2D6PKMVDRHTT
SCHEMBL17164172 0.77 GSR (0.46) MAPK1CYP2D6PKMVDRHTT
SCHEMBL6982213 0.77 GSR (0.46) MAPK1CYP2D6PKMVDRHTT

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
EP-0132225-A2 Curing of acid-curable compositions containing a blocked catalyst with the aid of heat CIBA-GEIGY AG (CH) 1985-01-23 EP disclosed