SCHEMBL6237295

SCHEMBL6237295

COC(=O)c1ccc(COc2c(C)ccc3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
RAB9A P51151 4/20 0.54
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
HPGD P15428 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 3/20 0.47
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
TP53 P04637 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43

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
SCHEMBL6240058 0.87 RXRA (0.58) MAPTRAB9ALMNAHPGDMEN1
SCHEMBL30929949 0.81 MAPT (0.55) MAPTRAB9ALMNAL3MBTL1MEN1
SCHEMBL26993299 0.80 L3MBTL1 (0.49) MAPTRAB9ALMNAL3MBTL1SMN1; SMN2
SCHEMBL9268448 0.76 NPC1 (0.71) MAPTRAB9ALMNAHPGDMEN1
SCHEMBL23461026 0.76 CXCR2 (0.48) MAPTRAB9ALMNAL3MBTL1HPGD
SCHEMBL25548866 0.76 PTPN1 (0.50) LMNAHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL23461024 0.76 CXCR2 (0.48) MAPTRAB9ALMNAL3MBTL1HPGD
SCHEMBL15703639 0.75 MAPT (0.62) MAPTRAB9ALMNAL3MBTL1HPGD
SCHEMBL8406035 0.74 MAPT (0.57) MAPTRAB9ALMNAL3MBTL1HPGD
SCHEMBL8406034 0.74 PTGER4 (0.59) MAPTRAB9ALMNAL3MBTL1HPGD

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