SCHEMBL9511919

SCHEMBL9511919

CCOC(=O)C(C)(C)CCCSCCBr

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.54
CYP4A11 Q02928 3/20 0.54
PKM P14618 3/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
PPARA Q07869 1/20 0.33
MMP8 P22894 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
SCHEMBL6410664 0.92 CYP4F2 (0.62) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL9515174 0.90 CYP4F2 (0.49) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL9514301 0.85 CYP4F2 (0.65) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL15945347 0.85 CYP4F2 (0.64) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL1661139 0.83 CYP4F2 (0.65) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL186838 0.81 CYP4F2 (0.68) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL186818 0.80 CYP4F2 (0.71) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL186284 0.80 CYP4F2 (0.71) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL2142612 0.80 CYP4F2 (0.71) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL9871166 0.80 CYP4F2 (0.71) 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 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