SCHEMBL6237900

SCHEMBL6237900

CCC(=O)Oc1ccc(OCc2cccc(I)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
MRGPRX4 Q96LA9 4/20 0.50
TP53 P04637 2/20 0.50
PKM P14618 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
RAB9A P51151 3/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PTPRC P08575 1/20 0.47
PTPN1 P18031 1/20 0.47
MAOA P21397 3/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 2/20 0.46
ELANE P08246 1/20 0.46
ESR1 P03372 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL3804979 0.82 MAOB (0.61) MAOBSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL6237903 0.80 RAB9A (0.55) MAOBSMN1; SMN2MRGPRX4TP53PKM
SCHEMBL22619020 0.79 ACHE (0.61) SMN1; SMN2RAB9ANPC1LMNAELANE
SCHEMBL6243823 0.77 FFAR1 (0.53) MRGPRX4PTPRCPTPN1NR4A2
SCHEMBL3916599 0.75 APP (0.63) MAOBMAOALMNAHIF1AIDO1
SCHEMBL30674750 0.75 APP (0.63) MAOBMAOALMNAHIF1AIDO1
SCHEMBL4246892 0.75 KMT2A (0.63) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL9060683 0.74 APP (0.64) MAOBMAOAIDO1NR4A2
SCHEMBL5708187 0.74 APP (0.61) MAOBMAOALMNAHIF1AIDO1
SCHEMBL16415825 0.74 PPARA (0.73)

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
WO-2005009104-A2 BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO disclosed