SCHEMBL5850679

SCHEMBL5850679

CCC(C(=O)O)(C(=O)O)C(CC)(CC)C(CC)(C(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
GRM2 Q14416 1/20 0.30
GRM3 Q14832 1/20 0.30

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
SCHEMBL471905 0.77 FFAR3 (0.35) FFAR3ALDH1A1MEN1CYP1A2THRB
SCHEMBL3053815 0.77 TSHR (0.40) FFAR3ALDH1A1MEN1CYP1A2THRB
SCHEMBL8043548 0.74 TSHR (0.38) FFAR3ALDH1A1MEN1CYP1A2THRB
SCHEMBL5003423 0.74 TSHR (0.38) FFAR3ALDH1A1MEN1CYP1A2THRB
SCHEMBL28314649 0.74 TSHR (0.38) FFAR3ALDH1A1MEN1CYP1A2THRB
SCHEMBL1462648 0.74 ALDH1A1 (0.33) FFAR3ALDH1A1MEN1CYP1A2THRB
SCHEMBL21269186 0.74 TSHR (0.38) FFAR3ALDH1A1MEN1CYP1A2THRB
SCHEMBL21269649 0.74 TSHR (0.38) FFAR3ALDH1A1MEN1CYP1A2THRB
SCHEMBL21269356 0.74 TSHR (0.38) FFAR3ALDH1A1MEN1CYP1A2THRB
SCHEMBL3420328 0.74 ALDH1A1 (0.38) FFAR3ALDH1A1MEN1CYP1A2THRB

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-7026266-B2 Catalytic formulation and its preparation COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2006-04-11 US disclosed
US-20030092565-A1 Liquid-insoluble heterogeneous catalyst comprising a solid support and a deposit of active organometallic compound modified to include negatively charged groups and a Group 2A metal salt; heterogeous; easy separation COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2003-05-15 US disclosed
WO-2002078842-A1 A NOVEL CATALYTIC FORMULATION AND ITS PREPARATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-10-10 WO disclosed
US-4092348-A Octasodium-1,1,2,2,4,4,5,5-cyclohexane octacarboxylate and compositions and methods employing same MONSANTO COMPANY (US) 1978-05-30 US disclosed