SCHEMBL7108636

SCHEMBL7108636

CCCCO[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.57
PPARG P37231 12/20 0.53
PPARD Q03181 7/20 0.53
LMNA P02545 1/20 0.50
ESR1 P03372 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
NR1H2 P55055 1/20 0.50
RNASEL Q05823 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PTPRF P10586 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
SLC7A5 Q01650 1/20 0.46

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
SCHEMBL7103261 1.00 PPARA (0.57) PPARAPPARGPPARDLMNAESR1
SCHEMBL5607507 1.00 PPARA (0.57) PPARAPPARGPPARDLMNAESR1
SCHEMBL6500458 0.94 PPARA (0.51) PPARAPPARGPPARDLMNAESR1
SCHEMBL7102284 0.94 PPARA (0.51) PPARAPPARGPPARDLMNAESR1
SCHEMBL7102287 0.94 PPARA (0.51) PPARAPPARGPPARDLMNAESR1
SCHEMBL543191 0.91 PPARA (0.56) PPARAPPARGPPARDESR1TSHR
SCHEMBL7630188 0.91 PPARA (0.56) PPARAPPARGPPARDESR1TSHR
SCHEMBL8072578 0.88 PPARA (0.59) PPARAPPARGPPARD
SCHEMBL7637724 0.87 ESR1 (0.56) PPARAPPARGPPARDLMNAESR1
SCHEMBL5104386 0.85 ESR1 (0.51) PPARAPPARGPPARDLMNAESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030008361-A1 Process for the preparation of substituted 3-phenyl-propanoic acid esters and substituted 3-phenyl-propanoic acids EBDRUP SOREN (DK) 2003-01-09 US disclosed
EP-1206565-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 3-PHENYL-PROPANOIC ACID ESTERS AND SUBSTITUTED 3-PHENYL-PROPANOIC ACIDS NOVO NORDISK A/S (DK) 2002-05-22 EP disclosed
WO-2001011073-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 3-PHENYL-PROPANOIC ACID ESTERS AND SUBSTITUTED 3-PHENYL-PROPANOIC ACIDS NOVO NORDISK A/S (DK) 2001-02-15 WO disclosed