SCHEMBL9752490

SCHEMBL9752490

C=CCCCOC(=O)OOOC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 2/20 0.33
HPGD P15428 2/20 0.33
CYP3A4 P08684 3/20 0.32
MAPT P10636 3/20 0.31
USP2 O75604 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
RECQL P46063 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
ABCC4 O15439 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL9752549 0.95 ALDH1A1 (0.37) ALDH1A1LMNATSHRHPGDCYP3A4
SCHEMBL9752493 0.92 ALDH1A1 (0.30) ALDH1A1LMNA
SCHEMBL20211357 0.83 NAAA (0.35) ALDH1A1TSHRCYP3A4
SCHEMBL28856839 0.80 ALDH1A1 (0.45) ALDH1A1LMNAL3MBTL1TSHRHPGD
SCHEMBL492248 0.80 TSHR (0.36) ALDH1A1TSHRCYP3A4MAPTSMN1; SMN2
SCHEMBL10435386 0.79 ALDH1A1 (0.34) ALDH1A1L3MBTL1TSHR
SCHEMBL9752447 0.79
SCHEMBL10349926 0.79 TSHR (0.48) ALDH1A1TSHRHPGDCYP3A4SMN1; SMN2
SCHEMBL1630028 0.78 NAAA (0.44) ALDH1A1LMNATSHRCYP3A4ATM
SCHEMBL1421042 0.77 NAAA (0.47) ALDH1A1LMNATSHR

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
WO-1991000300-A1 (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXY ALKENES AKZO N.V. (NL) 1991-01-10 WO claimed
WO-1991000300-A1 (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXY ALKENES AKZO N.V. (NL) 1991-01-10 WO disclosed