SCHEMBL9511550

SCHEMBL9511550

CCOC(=O)C(C)(C)SCCCCCCBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.40
CYP4A11 Q02928 3/20 0.40
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.34
TRPA1 O75762 1/20 0.34
PKM P14618 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS2 P35354 2/20 0.33
TP53 P04637 1/20 0.32
MMP8 P22894 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
CYP1A2 P05177 2/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL9514286 1.00 CYP4F2 (0.40) CYP4F2CYP4A11HTTALDH1A1TRPA1
SCHEMBL11399991 0.86 MAPT (0.45) CYP4F2CYP4A11HTTPKMMEN1
SCHEMBL9514260 0.85 CYP4F2 (0.57) CYP4F2CYP4A11HTTPKMMEN1
SCHEMBL9511878 0.85 CYP4F2 (0.57) CYP4F2CYP4A11HTTPKMMEN1
SCHEMBL4293341 0.78 CYP4F2 (0.39) CYP4F2CYP4A11HTTALDH1A1PKM
SCHEMBL9512961 0.78 ALDH1A1 (0.40) CYP4F2CYP4A11ALDH1A1TRPA1PTGS2
SCHEMBL469310 0.77 CYP4F2 (0.40) CYP4F2CYP4A11HTTALDH1A1PKM
SCHEMBL10178677 0.74 TP53 (0.36) CYP4F2CYP4A11HTTPKMTHRB
SCHEMBL1620624 0.74 CYP4F2 (0.41) CYP4F2CYP4A11HTTALDH1A1TRPA1
SCHEMBL2142612 0.74 CYP4F2 (0.71) CYP4F2CYP4A11HTTALDH1A1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0353448-B1 Sulfon amides, process for their preparation and pharmaceutical preparations containing them BOEHRINGER MANNHEIM GMBH (DE) 1993-10-27 EP disclosed
US-4981873-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1991-01-01 US disclosed
EP-0353448-A1 Sulfon amides, process for their preparation and pharmaceutical preparations containing them Roche Diagnostics GmbH (DE) 1990-02-07 EP disclosed