SCHEMBL9197946

SCHEMBL9197946

COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 1.00
ALDH1A1 P00352 7/20 0.62
MAPT P10636 4/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 3/20 0.54
HPGD P15428 3/20 0.54
MEN1 O00255 2/20 0.54
XBP1 P17861 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
PLIN1 O60240 1/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
PLIN5 Q00G26 1/20 0.53
ABHD5 Q8WTS1 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
PIM1 P11309 2/20 0.51
PIM3 Q86V86 2/20 0.51

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
SCHEMBL28606256 0.87 KMT2A (0.76) KMT2AALDH1A1MAPTLMNAHPGD
SCHEMBL16319198 0.87 KMT2A (0.76) KMT2AALDH1A1MAPTHTTLMNA
SCHEMBL16319317 0.87 KMT2A (0.76) KMT2AALDH1A1MAPTMEN1TDP1
SCHEMBL8023568 0.85 KMT2A (0.72) KMT2AALDH1A1PDE4BPDE3A
SCHEMBL19607880 0.85 KMT2A (0.72) KMT2AALDH1A1MAPTHTTPDE4B
SCHEMBL9246152 0.84 KMT2A (0.72) KMT2AALDH1A1MAPTHTTLMNA
SCHEMBL9247437 0.83 KMT2A (0.70) KMT2AALDH1A1MAPTLMNAHPGD
SCHEMBL3076077 0.79 KMT2A (0.65) KMT2AALDH1A1MAPTCRHBPCRHR2
SCHEMBL19607881 0.77 KMT2A (0.61) KMT2AALDH1A1MAPTHTTPDE4B
SCHEMBL13936247 0.77 KMT2A (0.62) KMT2AALDH1A1MAPTHTTLMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491486-B2 Optical information recording medium FUJIFILM CORPORATION (JP) 2009-02-17 US disclosed
US-7491486-B2 Optical information recording medium FUJIFILM CORPORATION (JP) 2009-02-17 US disclosed
EP-0578849-B1 Process for the preparation of 1,3-dioxane-4,6-dione derivates BIOGAL GYOGYSZERGYAR (HU) 1995-05-17 EP disclosed
US-5414108-A From a Meldrum's acid derivative BIOGAL GYOGYSZERGRAR (HU) 1995-05-09 US disclosed
US-5350872-A Decyclization and decarboxylation of a 1,3-dioxane-4,6-dione BIOGAL GYOGYSZERGRAR (HU) 1994-09-27 US disclosed
EP-0578850-A1 Process for the preparation of carboxylic acids and derivatives of them BIOGAL GYOGYSZERGYAR (HU) 1994-01-19 EP disclosed
EP-0578849-A1 Process for the preparation of 1,3-dioxane-4,6-dione derivates BIOGAL GYOGYSZERGYAR (HU) 1994-01-19 EP disclosed