SCHEMBL6994746

SCHEMBL6994746

COc1ccc2oc(C(=O)OCC(C)(C)C(O)C(C)(C)C)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 11/20 0.52
TAS1R1 Q7RTX1 11/20 0.52
MAOB P27338 1/20 0.46
MAPT P10636 1/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PIM1 P11309 1/20 0.45
OXTR P30559 2/20 0.44

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
SCHEMBL6995890 0.81 TAS1R3 (0.50) TAS1R3TAS1R1MAOBMAPTCASP3
SCHEMBL648621 0.79 MAOB (0.70) TAS1R3TAS1R1MAOBMAPTCASP3
SCHEMBL6995985 0.76 CLK1 (0.51)
SCHEMBL446971 0.76 TAS1R3 (0.64) TAS1R3TAS1R1MAPTCASP3SENP7
SCHEMBL6996968 0.75 POLB (0.44) TDP1
SCHEMBL12795529 0.73 TAS1R3 (0.58) TAS1R3TAS1R1MAPTCASP3SENP7
SCHEMBL7822377 0.73 SMN1; SMN2 (0.50) TAS1R3TAS1R1CASP3SENP7
SCHEMBL31060243 0.73 FLT3 (0.71) TAS1R3TAS1R1MAPTCASP3SENP7
SCHEMBL24522315 0.72 TAS1R3 (0.73) TAS1R3TAS1R1
SCHEMBL12848552 0.72 TAS1R3 (0.65) TAS1R3TAS1R1MAOBOXTR

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-0943618-B1 1,2-dioxetane derivative MATSUMOTO MASAKATSU (JP) 2003-08-27 EP disclosed
US-6218135-B1 EASY TO HANDLE, HEAT STABLE, AND HIGH IN EMISSION EFFICIENCY; FOR IMMUNOASSAYS Matsumoto, Masakatsu (JP) 2001-04-17 US disclosed
EP-0943618-A2 1,2-dioxetane derivative FUJIREBIO INC. (JP) 1999-09-22 EP disclosed