SCHEMBL8699155

SCHEMBL8699155

COc1c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)cc(C)cc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STS P08842 3/20 0.45
F2 P00734 1/20 0.45
TGFBR1 P36897 3/20 0.44
JAK2 O60674 2/20 0.41
JAK3 P52333 2/20 0.41
PTK2 Q05397 2/20 0.41
GPR119 Q8TDV5 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CACNA1B Q00975 3/20 0.41
CYP3A4 P08684 1/20 0.41
SYK P43405 1/20 0.39
RBP4 P02753 1/20 0.39

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
SCHEMBL8695105 0.91 GPR119 (0.47) STSTGFBR1GPR119MEN1KMT2A
SCHEMBL8695254 0.89 MEN1 (0.45) STSTGFBR1GPR119MEN1KMT2A
SCHEMBL8702747 0.88 STS (0.54) STSF2TGFBR1GPR119MEN1
Acetic Acid SCHEMBL8698677 0.85 F2 (0.57) F2L3MBTL1CACNA1BCYP3A4RBP4
SCHEMBL8701099 0.85 F2 (0.45) STSF2TGFBR1GPR119MEN1
SCHEMBL8701363 0.82 HTR6 (0.45) STSF2TGFBR1JAK2JAK3
SCHEMBL8695575 0.82 STS (0.46) STSF2GPR119MEN1KMT2A
SCHEMBL8696210 0.81 STS (0.45) STSF2MEN1KMT2APOLB
SCHEMBL7443092 0.76 F2 (0.76) STSF2TGFBR1
SCHEMBL23705837 0.75 JAK2 (0.53) STSTGFBR1JAK2JAK3PTK2

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