SCHEMBL8733140

SCHEMBL8733140

CCCC(NCC(C)O)(Oc1cccc(Oc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
TDP1 Q9NUW8 3/20 0.42
LMNA P02545 3/20 0.41
RAB9A P51151 2/20 0.41
PPARG P37231 5/20 0.38
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PPARD Q03181 3/20 0.37
PPARA Q07869 3/20 0.37
ALOX5 P09917 1/20 0.37
PSEN1 P49768 1/20 0.37
C5AR1 P21730 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMPD1 P17405 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL8733375 0.84 KDM4E (0.41) KDM4ETDP1LMNARAB9ASMN1; SMN2
SCHEMBL8733133 0.84 ABCB1 (0.47) KDM4ELMNAC5AR1MEN1KMT2A
SCHEMBL8734022 0.69 CYP2D6 (0.52)
SCHEMBL30628484 0.65 C5AR1 (0.49) KDM4ETDP1LMNARAB9AC5AR1
SCHEMBL9434444 0.65 C5AR1 (0.55) KDM4ETDP1LMNARAB9AC5AR1
SCHEMBL23403561 0.64 RAB9A (0.50) KDM4ETDP1RAB9AMEN1KMT2A
SCHEMBL30880062 0.63 ABCB1 (0.48) LMNARAB9AMEN1KMT2AALDH1A1
SCHEMBL28534985 0.63 ABCB1 (0.48) LMNARAB9AMEN1KMT2AALDH1A1
SCHEMBL23432064 0.63 ABCB1 (0.48) LMNARAB9AMEN1KMT2AALDH1A1
SCHEMBL21634023 0.63 ADRB2 (0.63)

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-5726165-A HYPOGLYCEMIC AGENTS; DIETETICS; GASTROINTESTINAL DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 1998-03-10 US disclosed