SCHEMBL9514301

SCHEMBL9514301

CCOC(=O)C(C)(C)CCCSCCO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.65
CYP4A11 Q02928 4/20 0.65
PKM P14618 3/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
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

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 0.93 CYP4F2 (0.62) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL9514299 0.90 CYP4F2 (0.59) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL15945347 0.86 CYP4F2 (0.64) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL9511919 0.85 CYP4F2 (0.54) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL3289027 0.82 CYP4F2 (0.92) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL6344209 0.81 CYP4F2 (0.53) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL4100758 0.80 CYP4F2 (0.96) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL22070561 0.79 CYP4F2 (1.00) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL22098346 0.79 CYP4F2 (1.00) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL20730318 0.79 CYP4F2 (1.00) 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