SCHEMBL8777789

SCHEMBL8777789

COC(=O)Oc1ccc(OC(=O)OC)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
THRB P10828 2/20 0.47
HTT P42858 3/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
GAA P10253 2/20 0.43
USP2 O75604 2/20 0.43
JAK2 O60674 1/20 0.43
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41

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
SCHEMBL11567903 0.92 MAPT (0.43) ALDH1A1KMT2AMAPTMEN1THRB
SCHEMBL7865611 0.81 MAPT (0.37) ALDH1A1KMT2AMAPTMEN1THRB
SCHEMBL27540714 0.79 USP2 (0.63) ALDH1A1KMT2AMAPTHTTLMNA
Hydrochloric Acid SCHEMBL2523367 0.79 MAPT (0.40) ALDH1A1KMT2AMAPTMEN1THRB
SCHEMBL19438416 0.78 NR1H4 (0.43) ALDH1A1KMT2AMAPTMEN1THRB
SCHEMBL28830235 0.78 CA12 (0.57) ALDH1A1KMT2AMAPTHTTLMNA
SCHEMBL6160713 0.77 KDM4E (0.38) ALDH1A1KMT2AMAPTMEN1THRB
SCHEMBL11094757 0.77 KDM4E (0.49) ALDH1A1KMT2AMAPTMEN1HTT
SCHEMBL2944091 0.77 KDM4E (0.47) ALDH1A1KMT2AMAPTMEN1HTT
SCHEMBL676909 0.76 KMT2A (0.58) ALDH1A1KMT2AMAPTMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0585873-B1 Method of preparing disazo pigments CLARIANT GMBH (DE) 1997-12-29 EP disclosed
EP-0518909-B1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE HOECHST AG (DE) 1994-05-25 EP disclosed
EP-0585873-A1 Method of preparing disazo pigments HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-09 EP disclosed
EP-0518909-A1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE. HOECHST AG (DE) 1992-12-23 EP disclosed
EP-0316649-B1 WATER INSOLUBLE AZO COLOURING AGENTS, THEIR PREPARATION AND USE HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-22 EP disclosed
WO-1991013941-A1 WATER-INSOLUBLE AZO DYES, THEIR MANUFACTURE AND USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-19 WO disclosed
EP-0316649-A2 Water insoluble azo colouring agents, their preparation and use HOECHST AKTIENGESELLSCHAFT (DE) 1989-05-24 EP disclosed
EP-0008627-B1 QUINAZOLINE DERIVATIVES, AZO DYES DERIVED FROM THE QUINAZOLINES AND THEIR USE AS PIGMENTS BAYER AG (DE) 1984-10-03 EP disclosed