SCHEMBL2861693

SCHEMBL2861693

CCCCCCC1CC(CCCCC)C(C(C(=O)O)(C(=O)O)C(C)C)C1C(C(=O)O)(C(=O)O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.53
TP53 P04637 1/20 0.38
ALDH1A1 P00352 3/20 0.35
TBXA2R P21731 1/20 0.35
PTGFR P43088 1/20 0.35
PTGER2 P43116 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
S1PR3 Q99500 2/20 0.34
MAPT P10636 1/20 0.34
ACE2 Q9BYF1 1/20 0.33
SLC1A2 P43004 1/20 0.33
GPR84 Q9NQS5 4/20 0.33
FFAR1 O14842 1/20 0.33
TSHR P16473 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32

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
SCHEMBL2855697 0.91 ALOX5 (0.45) ALOX5TP53ALDH1A1POLBL3MBTL1
SCHEMBL2855823 0.88 ALOX5 (0.43) ALOX5TP53ALDH1A1POLBL3MBTL1
SCHEMBL2865047 0.80 ALOX5 (0.39) ALOX5TP53ALDH1A1POLBL3MBTL1
SCHEMBL2854144 0.80 GRM2 (0.31) ALOX5
SCHEMBL2860540 0.78 DNTT (0.38) ALOX5TP53ALDH1A1ACE2GPR84
SCHEMBL2851523 0.78 SLC1A2 (0.32) SLC1A2
SCHEMBL1925051 0.71 ALOX5 (0.65) ALOX5ALDH1A1S1PR3GPR84FFAR1
SCHEMBL24106310 0.69 ALOX5 (0.93) ALOX5ALDH1A1POLBMAPTGPR84
SCHEMBL25118457 0.69 ALOX5 (0.73) ALOX5ALDH1A1GPR84FFAR1TSHR
SCHEMBL23533421 0.69 ALOX5 (0.73) ALOX5ALDH1A1GPR84FFAR1TSHR

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-8822366-B2 Solid titanium catalyst component, catalyst for olefin polymerization and process for polymerizing olefin MITSUI CHEMICALS, INC. (JP) 2014-09-02 US disclosed
EP-2206731-B1 SOLID TITANIUM CATALYST COMPONENT, OLEFIN POLYMERIZATION CATALYST, AND OLEFIN POLYMERIZATION METHOD MITSUI CHEMICALS INC (JP) 2013-08-28 EP disclosed
US-20100227991-A1 SOLID TITANIUM CATALYST COMPONENT, CATALIST FOR OLEFIN POLYMERIZATION AND PROCESS FOR POLYMERIZING OLEFIN MITSUI CHEMICALS, INC. (JP) 2010-09-09 US disclosed
EP-2206731-A1 SOLID TITANIUM CATALYST COMPONENT, OLEFIN POLYMERIZATION CATALYST, AND OLEFIN POLYMERIZATION METHOD Mitsui Chemicals, Inc. (JP) 2010-07-14 EP disclosed