SCHEMBL8799422

SCHEMBL8799422

COC(=O)CCc1c(CCCCCCBr)cccc1OCc1ccc(C(=O)OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
RAB9A P51151 4/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
KMT2A Q03164 3/20 0.43
LTB4R Q15722 2/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
STAT3 P40763 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
HDAC1 Q13547 1/20 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
SCHEMBL8799232 0.92 CYP4A11 (0.51) MAPTRAB9ALMNAL3MBTL1PTGER1
SCHEMBL8798860 0.90 CYP4F2 (0.46) MAPTRAB9ALMNAKMT2ALTB4R
SCHEMBL8799655 0.86 LTB4R (0.44) RAB9ALMNAKMT2ALTB4RLTB4R2
SCHEMBL8799275 0.82 CYP4F2 (0.57) RAB9ALTB4RLTB4R2SMN1; SMN2CYP4F2
SCHEMBL8977828 0.82 MAPT (0.57) MAPTRAB9ALMNAL3MBTL1KMT2A
SCHEMBL8800386 0.80 LTB4R (0.65) LTB4RLTB4R2
SCHEMBL8800182 0.78 LTB4R (0.47) LTB4RLTB4R2CYP2C9
SCHEMBL8798506 0.78 LTB4R (0.49) LTB4RLTB4R2CYP2C9
SCHEMBL8327569 0.77 PTGER1 (0.73) MAPTRAB9ALMNAL3MBTL1PTGER1
SCHEMBL8799308 0.76 LTB4R (0.45) RAB9ALMNAKMT2ALTB4RLTB4R2

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