SCHEMBL9514299

SCHEMBL9514299

CCOC(=O)C(C)(C)CCSCCO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.59
CYP4A11 Q02928 4/20 0.59
PKM P14618 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
THRB P10828 1/20 0.35
HTT P42858 1/20 0.34
MMP8 P22894 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
ROCK2 O75116 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ABCB11 O95342 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL9514301 0.90 CYP4F2 (0.65) CYP4F2CYP4A11PKMMEN1KMT2A
SCHEMBL9515174 0.84 CYP4F2 (0.49) CYP4F2CYP4A11PKMMEN1KMT2A
SCHEMBL6410664 0.81 CYP4F2 (0.62) CYP4F2CYP4A11PKMMEN1KMT2A
SCHEMBL1723361 0.81 CYP4F2 (0.71) CYP4F2CYP4A11PKMMEN1KMT2A
SCHEMBL15945347 0.79 CYP4F2 (0.64) CYP4F2CYP4A11PKMMEN1KMT2A
SCHEMBL2021436 0.78 CYP4F2 (0.67) CYP4F2CYP4A11PKMMEN1KMT2A
SCHEMBL3289027 0.77 CYP4F2 (0.92) CYP4F2CYP4A11PKMMEN1KMT2A
SCHEMBL1164946 0.76 CYP4F2 (0.59) CYP4F2CYP4A11PKMMEN1KMT2A
SCHEMBL9512942 0.76 BHMT (0.39) CYP4F2CYP4A11TDP1HTTABL1
SCHEMBL4100758 0.76 CYP4F2 (0.96) CYP4F2CYP4A11PKMMEN1KMT2A

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