SCHEMBL2355227

SCHEMBL2355227

CCC(=Cc1cc(F)c(OC)cc1F)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
PPARG P37231 1/20 0.40
KDM1A O60341 1/20 0.37
SLC16A3 O15427 2/20 0.37
SLC16A1 P53985 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2355224 1.00 LMNA (0.41) LMNAMAPK1HTTRAB9APSEN1
SCHEMBL2690714 0.81 PPARG (0.50) LMNAMAPK1HTTRAB9APSEN1
SCHEMBL1587043 0.79 CYP1A1 (0.46) PPARG
SCHEMBL1746959 0.79 CYP1A1 (0.46) PPARG
SCHEMBL7825925 0.75 KMT2A (0.61) LMNAMAPK1RAB9ASLC16A3SLC16A1
SCHEMBL31118194 0.75 POLB (0.45) LMNARAB9APPARGKDM4EPKM
SCHEMBL7825926 0.75 KMT2A (0.61) LMNAMAPK1RAB9ASLC16A3SLC16A1
SCHEMBL29279528 0.75 PRKDC (0.42) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL27002115 0.75 PRKDC (0.42) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL3501823 0.74 PDE5A (0.39) RAB9APPARGKMT2A

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
US-8008525-B2 For the 14273 peroxisome proliferator activated receptor; antidiabetic agents, hyperlipidemia, obesity or anorexia; receptor binding assay; drug screening kits TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-30 US disclosed