SCHEMBL5721743

SCHEMBL5721743

CCCCCNC(=O)COc1ccc(C[C@H](OC)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
RECQL P46063 1/20 0.55
PPARA Q07869 7/20 0.54
PPARG P37231 4/20 0.54
PPARD Q03181 4/20 0.54
KDM4E B2RXH2 1/20 0.49
PTPN1 P18031 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL3963793 0.99 TSHR (0.54) TSHRRECQLPPARAPPARGPPARD
SCHEMBL5361731 0.99 TSHR (0.54) TSHRRECQLPPARAPPARGPPARD
SCHEMBL5353330 0.99 TSHR (0.54) TSHRRECQLPPARAPPARGPPARD
SCHEMBL3963046 0.99 TSHR (0.54) TSHRRECQLPPARAPPARGPPARD
SCHEMBL5024521 0.85 PTPN1 (0.60) PPARAPPARGPPARDKDM4EPTPN1
SCHEMBL5027084 0.85 PTPN1 (0.60) PPARAPPARGPPARDKDM4EPTPN1
SCHEMBL5024583 0.85 PTPN1 (0.60) PPARAPPARGPPARDKDM4EPTPN1
SCHEMBL3960340 0.85 SMN1; SMN2 (0.60) PPARAPPARGPPARDKDM4EPTPN1
SCHEMBL3960334 0.85 SMN1; SMN2 (0.60) PPARAPPARGPPARDKDM4EPTPN1
SCHEMBL6148812 0.84 PTPN1 (0.68) PPARAPPARGPPARDKDM4EPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675820-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS AstraZeneca AB (SE) 2006-07-05 EP disclosed
WO-2004113270-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS ASTRAZENECA AB (SE) 2004-12-29 WO disclosed