SCHEMBL7898536

SCHEMBL7898536

COC(=O)C(Cc1cc(C(=N)N)ccc1O)C(C)NC(=O)c1ccc(-c2ccc(=O)[nH]c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.57
PRSS1 P07477 17/20 0.57
F2 P00734 5/20 0.57
PLG P00747 1/20 0.57
TMPRSS2 O15393 1/20 0.53

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
SCHEMBL6639955 1.00 F10 (0.57) F10PRSS1F2PLGTMPRSS2
Trifluoroacetic Acid SCHEMBL6641247 0.81 F10 (0.73) F10PRSS1F2PLGTMPRSS2
Trifluoroacetic Acid SCHEMBL7902234 0.81 F10 (0.73) F10PRSS1F2PLGTMPRSS2
Hydrochloric Acid SCHEMBL6640617 0.74 F10 (0.78) F10PRSS1F2PLGTMPRSS2
SCHEMBL13636886 0.74 F10 (0.74) F10PRSS1F2PLG
SCHEMBL6638366 0.74 F10 (0.55) F10PRSS1F2PLGTMPRSS2
SCHEMBL6638363 0.74 F10 (0.55) F10PRSS1F2PLGTMPRSS2
SCHEMBL12589582 0.71 F10 (1.00) F10PRSS1F2PLGTMPRSS2
SCHEMBL12521569 0.71 F10 (1.00) F10PRSS1F2PLGTMPRSS2
SCHEMBL10072203 0.71 F10 (1.00) F10PRSS1F2PLGTMPRSS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323227-B1 PRODRUGS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-11-27 US claimed
US-6323227-B1 PRODRUGS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-11-27 US disclosed