SCHEMBL8799424

SCHEMBL8799424

COC(=O)c1ccc(COc2ccccc2CC(CCCCCCBr)C(=O)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
LMNA P02545 3/20 0.47
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
PKM P14618 2/20 0.42
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 2/20 0.41
RXRA P19793 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40

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
SCHEMBL8799244 0.92 MAPT (0.47) MAPTLMNARAB9AL3MBTL1KMT2A
SCHEMBL8798867 0.89 FOLH1 (0.46) MAPTLMNARAB9AKMT2AMEN1
SCHEMBL8799665 0.87 ALDH1A1 (0.38) LMNARAB9AKMT2ASMN1; SMN2TP53
SCHEMBL8800392 0.80 LTB4R (0.50)
SCHEMBL8800191 0.79 PPARG (0.38) MAPTL3MBTL1KMT2AHPGDALDH1A1
SCHEMBL23434798 0.79 MAPT (0.59) MAPTLMNARAB9AL3MBTL1KMT2A
SCHEMBL8798512 0.78 PPARG (0.39) L3MBTL1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL8799317 0.77 ALDH1A1 (0.38) LMNARAB9AKMT2ASMN1; SMN2TP53
SCHEMBL8799422 0.73 MAPT (0.50) MAPTLMNARAB9AL3MBTL1KMT2A
SCHEMBL8799643 0.73 CYP4F2 (0.45) HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755381-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B 4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-01-29 EP disclosed
WO-1995028386-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1995-10-26 WO disclosed