SCHEMBL7931318

SCHEMBL7931318

COC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2S(=O)(=O)Oc2cc(C)cc(OCCCONC(=N)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.43
CTRC Q99895 4/20 0.42
F10 P00742 2/20 0.38
PRSS2 P07478 4/20 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
Hydrochloric Acid SCHEMBL6747568 0.87 F2 (0.47) F2CTRCF10PRSS2
SCHEMBL6752138 0.85 F2 (0.38) F2CTRCF10PRSS2
SCHEMBL6751458 0.83 F2 (0.59) F2CTRCF10PRSS2
SCHEMBL6745943 0.81 F2 (0.49) F2CTRCF10PRSS2
SCHEMBL7069370 0.80 F2 (0.43) F2CTRCF10PRSS2
Hydrochloric Acid SCHEMBL6747571 0.80 F2 (0.65) F2
Hydrochloric Acid SCHEMBL6746058 0.79 F2 (0.49) F2CTRCF10PRSS2
SCHEMBL6749126 0.78 F2 (0.40) F2CTRCPRSS2
SCHEMBL6929361 0.77 F2 (0.41) F2CTRCPRSS2
SCHEMBL6764565 0.76 F2 (0.44) F2CTRCF10PRSS2

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-6235778-B1 ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-05-22 US disclosed