SCHEMBL8701099

SCHEMBL8701099

COc1c(OS(=O)(=O)c2ccccc2C(F)(F)F)cc(C)cc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SFRP1 Q8N474 4/20 0.42
STS P08842 2/20 0.41
EPHX2 P34913 1/20 0.41
RBP4 P02753 4/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
SCN9A Q15858 1/20 0.39
TGFBR1 P36897 1/20 0.38
TP53 P04637 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) F2MEN1KMT2ASTSEPHX2
SCHEMBL8695254 0.87 MEN1 (0.45) MEN1KMT2ASTSGPR119SCN9A
SCHEMBL8701363 0.86 HTR6 (0.45) F2MEN1KMT2ASTSGPR119
Acetic Acid SCHEMBL8696214 0.86 F2 (0.57) F2RBP4
SCHEMBL8699155 0.85 STS (0.45) F2MEN1KMT2ASTSRBP4
SCHEMBL8695575 0.85 STS (0.46) F2MEN1KMT2ASTSEPHX2
SCHEMBL8695105 0.83 GPR119 (0.47) MEN1KMT2ASTSGPR119TGFBR1
SCHEMBL8702747 0.81 STS (0.54) F2MEN1KMT2ASTSGPR119
SCHEMBL8700362 0.80 F2 (0.46) F2MEN1KMT2ASTSLMNA
SCHEMBL8695530 0.78 F2 (0.46) F2MEN1KMT2ASTSLMNA

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