SCHEMBL4535809

SCHEMBL4535809

O=C(OC(CCOCc1ccccc1)OCc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
FOLH1 Q04609 1/20 0.41
CYP2D6 P10635 2/20 0.41
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL8018352 0.82 KMT2A (0.45) KMT2ATDP1SLC6A2SLC6A3TSHR
SCHEMBL17786024 0.75 SLC1A3 (0.43) KMT2ATDP1SLC6A2SLC6A3TSHR
SCHEMBL5665910 0.74 KMT2A (0.66) KMT2ATDP1SLC6A2SLC6A3NPC1
SCHEMBL27777630 0.74 KMT2A (0.56) KMT2ATDP1SLC6A2SLC6A3TSHR
SCHEMBL8445001 0.74 TSHR (0.45) SLC6A2SLC6A3TSHRSMN1; SMN2HTT
SCHEMBL8677044 0.74 NR4A2 (0.47) KMT2ATDP1SLC6A2SLC6A3SMN1; SMN2
SCHEMBL28639041 0.74 ALDH1A1 (0.47) KMT2ATDP1SLC6A2SLC6A3TSHR
SCHEMBL23945258 0.73 TDP1 (0.70) KMT2ATDP1SLC6A2SLC6A3TSHR
SCHEMBL14297467 0.73 TDP1 (0.44) KMT2ATDP1SLC6A2SLC6A3TSHR
SCHEMBL2973368 0.73 TSHR (0.52) KMT2ATDP1SLC6A2SLC6A3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498372-B2 Phthalate-free; such as 3-benzyloxy-1,2-propyl dibenzoate; for use with vinyl polymers, rubbers, polyurethanes, and acrylics FERRO CORPORATION (US) 2009-03-03 US claimed
US-20070123622-A1 ETHER-ESTER PLASTICIZERS FERRO CORPORATION (US) 2007-05-31 US claimed
US-7498372-B2 Phthalate-free; such as 3-benzyloxy-1,2-propyl dibenzoate; for use with vinyl polymers, rubbers, polyurethanes, and acrylics FERRO CORPORATION (US) 2009-03-03 US disclosed
US-20070123622-A1 ETHER-ESTER PLASTICIZERS FERRO CORPORATION (US) 2007-05-31 US disclosed