SCHEMBL10813751

SCHEMBL10813751

COc1ccc(S(=O)(=O)OC(C(=O)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
MAPT P10636 4/20 0.61
POLB P06746 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
LMNA P02545 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46

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
SCHEMBL194578 0.87 ALDH1A1 (0.54) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL60545 0.86 CYP3A4 (0.51) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL19862495 0.86 ALDH1A1 (0.50) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL7122940 0.85 NPSR1 (0.56) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL10709306 0.85 CES2 (0.50) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL10815926 0.83 ALDH1A1 (0.48) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL10506692 0.83 ALDH1A1 (0.48) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL10507083 0.81 KAT6A (0.46) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL27826514 0.81 CYP3A4 (0.48) NPC1RAB9AMAPTPOLBMEN1
SCHEMBL10810843 0.81 POLB (0.53) POLBMEN1KMT2ANPSR1ALDH1A1

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-4699949-A Hardening of acid-hardenable compositions containing a blocked hardening catalyst, using heat CIBA-GEIGY CORPORATION (US) 1987-10-13 US disclosed