SCHEMBL6561438

SCHEMBL6561438

CCOCCCOC(=O)C(C)=C(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
TSHR P16473 5/20 0.47
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 4/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CES2 O00748 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL251951 0.81 ALDH1A1 (0.60) TSHRALDH1A1L3MBTL1HPGDLMNA
SCHEMBL28996313 0.80 TSHR (0.44) THRBTSHRALDH1A1KMT2AHSD17B10
SCHEMBL234130 0.80 THRB (0.78) THRBTSHRALDH1A1KMT2AL3MBTL1
SCHEMBL28996282 0.80 TSHR (0.44) THRBTSHRALDH1A1KMT2AHSD17B10
SCHEMBL9056348 0.79 TSHR (0.62) TSHRALDH1A1LMNACES2TP53
SCHEMBL151561 0.79 ALDH1A1 (0.74) THRBTSHRALDH1A1KMT2AL3MBTL1
SCHEMBL253034 0.78 THRB (0.48) THRBTSHRALDH1A1KMT2AL3MBTL1
SCHEMBL5888797 0.78 TSHR (0.37) THRBTSHRALDH1A1SMN1; SMN2
SCHEMBL21599119 0.78 TSHR (0.66) TSHRALDH1A1LMNACES2
SCHEMBL11755056 0.78 TSHR (0.66) TSHRALDH1A1LMNACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1398831-A2 Air gaps formation Shipley Co. L.L.C. (US) 2004-03-17 EP disclosed