SCHEMBL16344715

SCHEMBL16344715

CCCCCC(CCC)CC1(C(=O)OCc2ccccc2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
CETP P11597 4/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39

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
SCHEMBL16347470 0.90 ALDH1A1 (0.43) MMEALDH1A1CYP3A4TSHRMAPK1
SCHEMBL16347174 0.82 CETP (0.50) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL7451242 0.81 MME (0.59) MME
SCHEMBL16345546 0.81 CETP (0.51) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL16344798 0.81 CETP (0.51) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL16345450 0.81 CETP (0.51) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL16344589 0.81 CETP (0.50) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL16347929 0.80 ALDH1A1 (0.45) ALDH1A1CTSLCTSB
SCHEMBL16347302 0.79 DDB1 (0.42) ALDH1A1CTSLCTSB
SCHEMBL1667534 0.77 NR5A2 (0.35) ALDH1A1CYP3A4TSHRMAPK1TDP1

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
EP-3016938-A2 BIOBASED EPOXIDIZED FATTY ACID ESTER PLASTICIZERS Polymer Additives, Inc. (US) 2016-05-11 EP disclosed
WO-2015002746-A2 BIOBASED EPOXIDIZED FATTY ACID ESTER PLASTICIZERS FERRO CORPORATION (US) 2015-01-08 WO disclosed