SCHEMBL4645112

SCHEMBL4645112

O=C(c1ccccc1)c1ccccc1NC(Cc1ccc(OCCCN(Cc2ccccc2)C(=O)CCC2CCCCC2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.57
PPARA Q07869 2/20 0.54
MEN1 O00255 1/20 0.53
GMNN O75496 1/20 0.53
EGFR P00533 1/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
ADRB3 P13945 1/20 0.53
TSHR P16473 1/20 0.53
ADRA2B P18089 1/20 0.53
NFKB1 P19838 1/20 0.53
TACR2 P21452 1/20 0.53
SLC6A2 P23975 1/20 0.53
TBXAS1 P24557 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53

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
SCHEMBL4645101 1.00 PPARG (0.57) PPARGPPARAMEN1GMNNEGFR
SCHEMBL4643774 0.99 PPARG (0.58) PPARGPPARAMEN1GMNNEGFR
SCHEMBL4643764 0.99 PPARG (0.58) PPARGPPARAMEN1GMNNEGFR
SCHEMBL4646143 0.96 PPARG (0.57) PPARGPPARAMEN1GMNNEGFR
SCHEMBL4646154 0.96 PPARG (0.57) PPARGPPARAMEN1GMNNEGFR
SCHEMBL4643429 0.95 PPARG (0.58) PPARGPPARAMEN1GMNNEGFR
SCHEMBL4643417 0.95 PPARG (0.58) PPARGPPARAMEN1GMNNEGFR
SCHEMBL4646604 0.94 PPARG (0.53) PPARGPPARAMEN1GMNNEGFR
SCHEMBL4642702 0.93 PPARG (0.54) PPARGPPARAMEN1GMNNEGFR
SCHEMBL4642697 0.93 PPARG (0.54) PPARGPPARAMEN1GMNNEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778624-B1 TYROSINE DERIVATIVES AS PPAR-GAMMA-MODULATORS SALVAT LAB SA (ES) 2008-08-20 EP disclosed