SCHEMBL4535813

SCHEMBL4535813

O=C(OCC(COCc1ccccc1)OCc1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.58
KMT2A Q03164 2/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A3 Q01959 1/20 0.58
ALDH1A1 P00352 2/20 0.53
TBXAS1 P24557 6/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
PRKCA P17252 1/20 0.44
ADRB2 P07550 3/20 0.43
ADRB1 P08588 3/20 0.43
ADRB3 P13945 3/20 0.43
SLC1A1 P43005 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 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
SCHEMBL8196611 0.84 TDP1 (0.50) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL828709 0.84 ALDH1A1 (0.57) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL828710 0.84 ALDH1A1 (0.57) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL828711 0.84 ALDH1A1 (0.57) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL4535810 0.82 TSHR (0.58) KMT2ASLC1A1CA1CA2CA7
SCHEMBL10283260 0.82 PPARG (0.53) KMT2AALDH1A1TBXAS1LMNAMAPT
SCHEMBL6139421 0.81 SLC1A1 (0.48) KMT2ATBXAS1SLC1A1CA1CA2
SCHEMBL5665910 0.81 KMT2A (0.66) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL9194929 0.81 KMT2A (0.50) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL1492511 0.79 SLC1A3 (0.49) TDP1KMT2ASLC6A2SLC6A3ALDH1A1

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