SCHEMBL7785172

SCHEMBL7785172

CCCC(=O)[Ti]C(=O)CCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.50
CES2 O00748 6/20 0.50
HDAC3 O15379 4/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC2 Q92769 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
FFAR3 O14843 3/20 0.47
TSHR P16473 2/20 0.45
ALDH1A1 P00352 3/20 0.43
HDAC6 Q9UBN7 1/20 0.41
CTSD P07339 1/20 0.39
AKR1B1 P15121 1/20 0.35
TP53 P04637 1/20 0.35
GPR84 Q9NQS5 2/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
TLR2 O60603 1/20 0.33

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
SCHEMBL28732846 0.77 CES1 (0.41) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL28550193 0.71 CES1 (0.41) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL8119186 0.67 CES2 (0.60) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL25174 0.67
SCHEMBL108642 0.67 CES1 (1.00) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL5881465 0.67 CES1 (0.50) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL20593969 0.67 CES1 (0.69) CES1CES2HDAC3HDAC1HDAC2
SCHEMBL108066 0.67
Butyric Acid SCHEMBL28440381 0.65
Butyric Acid SCHEMBL8457839 0.65 FFAR3 (1.00) CES1CES2HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021065973-A1 SEALING RESIN COMPOSITION 味の素株式会社 2021-04-08 WO disclosed
CN-105163955-A Pneumatic radial tire for passenger car BRIDGESTONE CORP 2015-12-16 CN disclosed
EP-1142709-A2 Directly imageable planographic printing plate and method of production thereof TORAY INDUSTRIES, INC. (JP) 2001-10-10 EP disclosed
EP-0339986-B1 NOVEL CATALYST FOR HYDROGENATION OF POLYMER AND PROCESS FOR HYDROGENATING POLYMER WITH THE CATALYST JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1992-12-02 EP disclosed
EP-0339986-A1 Novel catalyst for hydrogenation of polymer and process for hydrogenating polymer with the catalyst JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1989-11-02 EP disclosed