SCHEMBL9988563

SCHEMBL9988563

CCCCC(CC)Cc1c(C(=O)O)ccc(C(=O)O)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
CA2 P00918 3/20 0.43
CYP3A4 P08684 3/20 0.43
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 3/20 0.40
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
PPARA Q07869 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 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
SCHEMBL621545 0.91 ALDH1A1 (0.48) ALDH1A1CA2CYP3A4TSHRMAPK1
SCHEMBL18485499 0.88 ALDH1A1 (0.43) ALDH1A1CA2CYP3A4TSHRMAPK1
SCHEMBL28780898 0.88 ALDH1A1 (0.41) ALDH1A1CA2CYP3A4TSHRMAPK1
SCHEMBL27208715 0.87 PPARA (0.47) ALDH1A1CA2CYP3A4TSHRMAPK1
SCHEMBL3799939 0.87 PPARA (0.40) ALDH1A1CA2CYP3A4PRSS1PRSS2
SCHEMBL27208712 0.86 PPARA (0.49) ALDH1A1CA2CYP3A4TSHRMAPK1
SCHEMBL27208854 0.86 PPARA (0.49) ALDH1A1CA2CYP3A4TSHRMAPK1
SCHEMBL31500833 0.86 PPARA (0.49) ALDH1A1CA2CYP3A4TSHRMAPK1
SCHEMBL2975546 0.85 ALDH1A1 (0.43) ALDH1A1CA2CYP3A4TSHRMAPK1
SCHEMBL11422395 0.85 ALDH1A1 (0.52) ALDH1A1CA2CYP3A4TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582765-B1 2-ETHYLHEXYL METHYL TEREPHTHALATE AS PLASTICISERS IN ADHESIVES OR SEALANTS BASF SE (DE) 2014-10-15 EP claimed
EP-2582765-A1 2-ETHYLHEXYL METHYL TEREPHTHALATE AS PLASTICISERS IN ADHESIVES OR SEALANTS BASF SE (DE) 2013-04-24 EP claimed
WO-2011161037-A1 2-ETHYLHEXYL METHYL TEREPHTHALATE AS PLASTICISERS IN ADHESIVES OR SEALANTS BASF SE (DE) 2011-12-29 WO claimed
EP-4185632-A1 2-ETHYLHEXYL METHYL TEREPHTHALATE AND BIS(2-ETHYLHEXYL) TEREPHTHALATE BLEND PLASTICIZERS Eastman Chemical Company (US) 2023-05-31 EP disclosed
EP-4059920-A1 METHOD FOR HYDROGENATING PHTHALATE-BASED COMPOUND Hanwha Solutions Corporation (KR) 2022-09-21 EP disclosed
CN-113195507-A Multifunctional organosilicon compounds and related methods, compounds, and compositions 美国陶氏有机硅公司 2021-07-30 CN disclosed
EP-2582765-B1 2-ETHYLHEXYL METHYL TEREPHTHALATE AS PLASTICISERS IN ADHESIVES OR SEALANTS BASF SE (DE) 2014-10-15 EP disclosed
EP-2582765-A1 2-ETHYLHEXYL METHYL TEREPHTHALATE AS PLASTICISERS IN ADHESIVES OR SEALANTS BASF SE (DE) 2013-04-24 EP disclosed
EP-2582765-A1 2-ETHYLHEXYL METHYL TEREPHTHALATE AS PLASTICISERS IN ADHESIVES OR SEALANTS BASF SE (DE) 2013-04-24 EP disclosed
CN-102959031-A 2-ethylhexyl methyl terephthalate as plasticisers in adhesives or sealants BASF SE 2013-03-06 CN disclosed
WO-2011161037-A1 2-ETHYLHEXYL METHYL TEREPHTHALATE AS PLASTICISERS IN ADHESIVES OR SEALANTS BASF SE (DE) 2011-12-29 WO disclosed
WO-2011161037-A1 2-ETHYLHEXYL METHYL TEREPHTHALATE AS PLASTICISERS IN ADHESIVES OR SEALANTS BASF SE (DE) 2011-12-29 WO disclosed