SCHEMBL8701363

SCHEMBL8701363

COc1c(OS(=O)(=O)c2cccc3ccccc23)cc(C)cc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.45
F2 P00734 1/20 0.44
STS P08842 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
P2RX7 Q99572 4/20 0.40
SCN9A Q15858 1/20 0.40
TGFBR1 P36897 1/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39
ALK Q9UM73 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL8696210 0.88 STS (0.45) HTR6F2STSMEN1KMT2A
SCHEMBL8695254 0.87 MEN1 (0.45) STSGPR119MEN1KMT2ASCN9A
SCHEMBL8701099 0.86 F2 (0.45) F2STSGPR119MEN1KMT2A
SCHEMBL8695575 0.86 STS (0.46) F2STSGPR119MEN1KMT2A
Acetic Acid SCHEMBL8696266 0.86 F2 (0.55) HTR6F2
SCHEMBL8695105 0.85 GPR119 (0.47) HTR6STSGPR119MEN1KMT2A
SCHEMBL8702747 0.83 STS (0.54) HTR6F2STSGPR119MEN1
SCHEMBL8699155 0.82 STS (0.45) F2STSGPR119MEN1KMT2A
SCHEMBL8698820 0.80 STS (0.46) F2STSGPR119MEN1KMT2A
SCHEMBL8700362 0.80 F2 (0.46) HTR6F2STSMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792769-A POTENT ANTICOAGULANT, ANTIINFLAMMATORY AGENT; TREATMENT/PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS, VASCULAR SYSTEM DISORDERS, ANTITUMOR AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-11 US disclosed