SCHEMBL17274289

SCHEMBL17274289

Cc1ccc(C(=O)OCCOCCOCCOC(=O)c2ccc(C)o2)o1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.49
▸ PABPC1 P11940 1/20 0.49
▸ EIF4H Q15056 1/20 0.49
▸ HPGD P15428 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ TSHR P16473 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ HDAC4 P56524 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KLK7 P49862 1/20 0.43

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
SCHEMBL17274301 1.00 TDP1 (0.49) TDP1PABPC1EIF4HHPGDSMN1; SMN2
SCHEMBL17274259 0.94 TDP1 (0.52) TDP1PABPC1EIF4HHPGDSMN1; SMN2
SCHEMBL17274254 0.94 TDP1 (0.45) TDP1PABPC1EIF4HHPGDSMN1; SMN2
SCHEMBL17274268 0.94 TDP1 (0.45) TDP1PABPC1EIF4HHPGDSMN1; SMN2
Ethylene SCHEMBL17274280 0.91 RAB9A (0.51) TDP1PABPC1EIF4HHPGDSMN1; SMN2
SCHEMBL21594660 0.86 ALDH1A1 (0.50) TDP1PABPC1EIF4HHPGDSMN1; SMN2
SCHEMBL17274256 0.86 TDP1 (0.49) TDP1PABPC1EIF4HHPGDSMN1; SMN2
SCHEMBL669793 0.83 HDAC4 (0.62) TDP1PABPC1EIF4HHPGDSMN1; SMN2
SCHEMBL15308930 0.83 TSHR (0.53) TDP1PABPC1EIF4HHPGDSMN1; SMN2
SCHEMBL16577355 0.82 TSHR (0.53) HPGDSMN1; SMN2TSHRRAB9AALDH1A1

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
WO-2015179088-A1 CONVERSION OF 5-(HALOMETHYL)-2-FURALDEHYDE INTO POLYESTERS OF 5-METHYL-2FUROIC ACID XF TECHNOLOGIES INC. (US) 2015-11-26 — — WO disclosed
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