SCHEMBL14582153

SCHEMBL14582153

C=C(C)C(=O)OCCOC(=O)C(=C/C=C/N1CCOCC1)C(=O)OCCOC(=O)C(=C)C

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.66
▸ GAA P10253 1/20 0.66
▸ RECQL P46063 2/20 0.61
▸ THRB P10828 1/20 0.40
▸ TSHR P16473 4/20 0.36
▸ LMNA P02545 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ HPGD P15428 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
SCHEMBL14582161 0.85 RECQL (0.55) ALDH1A1GAARECQLTHRBTSHR
SCHEMBL19240031 0.80 ALDH1A1 (0.64) ALDH1A1GAARECQLTHRBTSHR
SCHEMBL13021254 0.80 ALDH1A1 (1.00) ALDH1A1GAARECQLTSHRLMNA
SCHEMBL14095059 0.76 RECQL (1.00) ALDH1A1GAARECQLLMNAUSP2
Dioxane SCHEMBL3323024 0.75 THRB (0.59) ALDH1A1GAARECQLTHRBTSHR
SCHEMBL14999231 0.74 SMN1; SMN2 (0.58) ALDH1A1RECQLTHRBTSHRLMNA
SCHEMBL7768057 0.74 THRB (0.46) ALDH1A1GAARECQLTHRBTSHR
Oxirane SCHEMBL3776781 0.74 THRB (0.61) ALDH1A1THRBTSHRLMNASMN1; SMN2
SCHEMBL14653091 0.73 ALDH1A1 (0.55) ALDH1A1GAARECQLTHRBTSHR
Tetrahydrofuran SCHEMBL11126766 0.72 THRB (0.55) ALDH1A1RECQLTHRBTSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070042295-A1 Optical data carrier comprising a polymeric network in the information layer LANXESS DEUTSCHLAND GMBH (DE) 2007-02-22 — — US disclosed
US-20070042295-A1 Optical data carrier comprising a polymeric network in the information layer LANXESS DEUTSCHLAND GMBH (DE) 2007-02-22 — — US disclosed
Send feedback