SCHEMBL8986465

SCHEMBL8986465

COc1cc(C(F)F)cc(OCC(=O)O)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 2/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
PTPN7 P35236 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL32690960 0.76 ALDH1A1 (0.40) PKMALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL5355158 0.75 LMNA (0.51) KDM4EALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL31287817 0.69 S1PR2 (0.34) KDM4EALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL22401880 0.69 PKM (0.62) PKMKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL3444212 0.69 PTGS1 (0.53) KDM4EALDH1A1LMNAPOLBTDP1
SCHEMBL32691169 0.68 ADORA2B (0.40) PKMMEN1KMT2ATSHRPTPN7
SCHEMBL29002093 0.67 AKR1C3 (0.54) KDM4EALDH1A1LMNATDP1CYP1A2
SCHEMBL5258507 0.67 TSHR (0.50) KDM4EALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL19555397 0.66 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL19555221 0.66 KMT2A (0.45) PKMALDH1A1POLBSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0441457-B1 Preparation of higher alkyl esters of carboxylic acids DOWELANCO (US) 1996-06-05 EP disclosed
US-5214150-A Preparation of higher alkylesters of carboxylic acids DOWELANCO (US) 1993-05-25 US disclosed
EP-0441457-A2 Preparation of higher alkyl esters of carboxylic acids DOWELANCO (US) 1991-08-14 EP disclosed