SCHEMBL7647491

SCHEMBL7647491

CCCC(=O)OCOC(=O)CCCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
PAM P19021 2/20 0.52
FFAR3 O14843 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
AKR1B1 P15121 1/20 0.50
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 7/20 0.48
PPARD Q03181 7/20 0.48
PPARA Q07869 7/20 0.48
HDAC11 Q96DB2 5/20 0.48
PTPN1 P18031 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
SLC22A6 Q4U2R8 2/20 0.48
SLC22A8 Q8TCC7 1/20 0.48

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
SCHEMBL3831126 0.94 PAM (0.60) TSHRPAMAKR1B1GPR84PPARG
Butane SCHEMBL10396228 0.93 TSHR (0.58) TSHRPAMAKR1B1GPR84PPARG
SCHEMBL7645974 0.91 ALDH1A1 (0.55) TSHRPAMALDH1A1TDP1MEN1
SCHEMBL9558119 0.89 SLC22A6 (0.61) TSHRPAMHDAC3HDAC1HDAC2
SCHEMBL3834164 0.87 AKR1B1 (0.70) TSHRPAMAKR1B1GPR84PPARG
SCHEMBL20351230 0.86 FFAR3 (0.55) TSHRPAMFFAR3HDAC3HDAC1
SCHEMBL3829618 0.85 PAM (0.71) TSHRPAMAKR1B1GPR84PPARG
Azelaic Acid SCHEMBL6665373 0.85 PAM (0.71) TSHRPAMAKR1B1GPR84PPARG
SCHEMBL3836400 0.85 PAM (0.71) TSHRPAMAKR1B1GPR84PPARG
Sebacic Acid SCHEMBL6661482 0.85 PAM (0.71) TSHRPAMAKR1B1GPR84PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0961614-A4 TRICARBOXYLIC ACID-CONTAINING OXYALKYL ESTERS AND USES THEREOF UNIV BAR ILAN (IL) 2002-07-24 EP claimed
EP-0961614-A1 TRICARBOXYLIC ACID-CONTAINING OXYALKYL ESTERS AND USES THEREOF BAR-ILAN UNIVERSITY (IL) 1999-12-08 EP claimed
WO-1998029114-A9 TRICARBOXYLIC ACID-CONTAINING OXYALKYL ESTERS AND USES THEREOF 1998-10-29 WO claimed
WO-1998040078-A1 THERAPEUTIC AUGMENTATION OF OXYALKYLENE DIESTERS AND BUTYRIC ACID DERIVATIVES BEACON LABORATORIES, INC. (US) 1998-09-17 WO claimed
WO-1998029114-A1 TRICARBOXYLIC ACID-CONTAINING OXYALKYL ESTERS AND USES THEREOF BAR-ILAN UNIVERSITY (IL) 1998-07-09 WO claimed
EP-0961614-A4 TRICARBOXYLIC ACID-CONTAINING OXYALKYL ESTERS AND USES THEREOF UNIV BAR ILAN (IL) 2002-07-24 EP disclosed
EP-0961614-A1 TRICARBOXYLIC ACID-CONTAINING OXYALKYL ESTERS AND USES THEREOF BAR-ILAN UNIVERSITY (IL) 1999-12-08 EP disclosed
WO-1998029114-A9 TRICARBOXYLIC ACID-CONTAINING OXYALKYL ESTERS AND USES THEREOF 1998-10-29 WO disclosed
WO-1998040078-A1 THERAPEUTIC AUGMENTATION OF OXYALKYLENE DIESTERS AND BUTYRIC ACID DERIVATIVES BEACON LABORATORIES, INC. (US) 1998-09-17 WO disclosed
WO-1998029114-A1 TRICARBOXYLIC ACID-CONTAINING OXYALKYL ESTERS AND USES THEREOF BAR-ILAN UNIVERSITY (IL) 1998-07-09 WO disclosed