SCHEMBL8698765

SCHEMBL8698765

COc1c(OS(=O)(=O)c2ccccc2Cl)cccc1C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.46
STS P08842 2/20 0.43
APLNR P35414 3/20 0.43
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PRSS2 P07478 1/20 0.41
CTRC Q99895 1/20 0.41
SCN9A Q15858 1/20 0.40
USP30 Q70CQ3 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
HPGDS O60760 1/20 0.40
POLB P06746 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
PDE4B Q07343 1/20 0.39
BCHE P06276 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL8695519 0.91 STS (0.49) HTR6STSMEN1KMT2A
SCHEMBL8700362 0.89 F2 (0.46) HTR6STSAPLNRF2F10
SCHEMBL8695451 0.85 F2 (0.56) HTR6F2F10PRSS2CTRC
SCHEMBL8695452 0.81 HTR6 (0.48) HTR6F2F10PRSS2CTRC
SCHEMBL8696210 0.80 STS (0.45) HTR6STSF2F10PRSS2
SCHEMBL8695530 0.78 F2 (0.46) STSF2POLBMEN1KMT2A
SCHEMBL8695300 0.78 F2 (0.56) HTR6F2F10PRSS2CTRC
SCHEMBL8698733 0.78 F2 (0.47) STSF2SCN9AMEN1KMT2A
SCHEMBL7548937 0.76 F2 (0.63) HTR6F2F10PRSS2CTRC
SCHEMBL23214857 0.75 PDE4B (0.50) STSSCN9AUSP30HPGDSPOLB

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