SCHEMBL9019745

SCHEMBL9019745

CCOCC(COCC)OCOC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.33
PRKCA P17252 3/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LPAR1 Q92633 2/20 0.30
LPAR3 Q9UBY5 2/20 0.30
GLA P06280 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL11258229 0.88 ALDH1A1 (0.37) ALDH1A1TSHRLMNAHSD17B10TDP1
SCHEMBL9019752 0.85 ALDH1A1 (0.45) ALDH1A1TSHRLMNAHSD17B10TDP1
SCHEMBL9463875 0.84 NAAA (0.39) ALDH1A1TSHRLMNAHSD17B10TDP1
SCHEMBL9463412 0.83 ALDH1A1 (0.53) ALDH1A1TSHRLPAR1LPAR3
SCHEMBL2466001 0.83 TDP1 (0.42) ALDH1A1TSHRLMNAHSD17B10TDP1
SCHEMBL3389746 0.82 ALDH1A1 (0.38) ALDH1A1TSHRLMNAHSD17B10TDP1
SCHEMBL3392461 0.79 ALDH1A1 (0.39) ALDH1A1TSHRLMNAHSD17B10TDP1
SCHEMBL9019825 0.79 ALDH1A1 (0.37) ALDH1A1TSHRLMNAHSD17B10TDP1
SCHEMBL14963619 0.79 ALDH1A1 (0.46) ALDH1A1TSHRLMNAHSD17B10TDP1
SCHEMBL9464159 0.78 PRKCA (0.38) ALDH1A1TSHRLMNAHSD17B10TDP1

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-0452680-B1 Substituted purines, process for their preparation and their use as antiviral agents HOECHST AG (DE) 1996-11-06 EP disclosed
EP-0448006-B1 Process for the preparation of acylales HOECHST AG (DE) 1995-01-25 EP disclosed
US-5231221-A PROCESS FOR THE PREPARATION OF ACYLALS HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-27 US disclosed
US-5225590-A Alkoxy methyl ether and alkoxy methyl ester derivatives SYNTEX (U.S.A.) INC. (US) 1993-07-06 US disclosed
EP-0452680-A1 Substituted purines, process for their preparation and their use as antiviral agents HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-23 EP disclosed
EP-0448006-A2 Process for the preparation of acylales HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-25 EP disclosed
EP-0187297-B1 ALKOXY METHYL ETHER AND ALKOXY METHYL ESTER DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1991-08-21 EP disclosed
EP-0187297-A2 Alkoxy methyl ether and alkoxy methyl ester derivatives SYNTEX (U.S.A.) INC. (US) 1986-07-16 EP disclosed