SCHEMBL9521999

SCHEMBL9521999

CCOC(=O)C(C)(CC)CCCCBr.COC(=O)C(C)(C)CCCCBr

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.49
CYP4A11 Q02928 3/20 0.49
PKM P14618 3/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MMP8 P22894 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TBXAS1 P24557 1/20 0.30
TRPA1 O75762 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL8986939 0.89 CYP4F2 (0.46) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL186838 0.83 CYP4F2 (0.68) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL4650865 0.83 CYP4F2 (0.43) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL186284 0.81 CYP4F2 (0.71) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL9871166 0.81 CYP4F2 (0.71) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL186818 0.81 CYP4F2 (0.71) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL2142612 0.81 CYP4F2 (0.71) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL8987098 0.81 CYP4F2 (0.46) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL8986987 0.81 CYP4F2 (0.46) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL9129151 0.81 CYP4F2 (0.46) CYP4F2CYP4A11PKMTHRBHTT

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-0540604-A1 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Aventis Pharma S.A. (FR) 1993-05-12 EP disclosed
WO-1992001675-A2 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS RHONE-POULENC RORER S.A. (FR) 1992-02-06 WO disclosed