SCHEMBL8698733

SCHEMBL8698733

COC(=O)c1cc(OS(=O)(=O)c2ccccc2Cl)c(OC)c(C2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.47
STS P08842 8/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SCN9A Q15858 1/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 1/20 0.40
TGFBR1 P36897 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
SCHEMBL8695530 0.89 F2 (0.46) F2STSMEN1KMT2AMAPT
SCHEMBL8696210 0.89 STS (0.45) F2STSMEN1KMT2AMAPT
SCHEMBL8694484 0.87 F2 (0.62) F2MEN1KMT2A
SCHEMBL8695519 0.86 STS (0.49) STSMEN1KMT2AMAPTTP53
SCHEMBL8694486 0.84 F2 (0.46) F2MEN1KMT2ALMNA
SCHEMBL8695575 0.82 STS (0.46) F2STSMEN1KMT2AMAPT
SCHEMBL8698820 0.81 STS (0.46) F2STSMEN1KMT2ASCN9A
SCHEMBL8700362 0.81 F2 (0.46) F2STSMEN1KMT2ASCN9A
SCHEMBL8695762 0.79 TP53 (0.44) F2STSMEN1KMT2AMAPT
SCHEMBL8698765 0.78 HTR6 (0.46) F2STSMEN1KMT2ASCN9A

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