SCHEMBL8230404

SCHEMBL8230404

CC(B(O)O)N(C)C(=S)C(N)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 10/20 0.34
▸ DPP7 Q9UHL4 3/20 0.34
▸ DPP8 Q6V1X1 2/20 0.34
▸ DPP9 Q86TI2 2/20 0.34
▸ FAP Q12884 1/20 0.34
▸ TP53 P04637 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ GMNN O75496 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL15028167 0.69 DPP4 (0.55) DPP4DPP7DPP8DPP9FAP
SCHEMBL17814216 0.62 DPP4 (0.55) DPP4DPP7DPP8DPP9FAP
Hydrochloric Acid SCHEMBL3226030 0.61 DPP4 (0.44) DPP4DPP7DPP8DPP9FAP
Hydrochloric Acid SCHEMBL3226022 0.61 DPP4 (0.44) DPP4DPP7DPP8DPP9FAP
SCHEMBL8013071 0.60 DPP4 (0.49) DPP4DPP7DPP8DPP9FAP
SCHEMBL8395791 0.59 EPHX1 (0.37) DPP4DPP7DPP8DPP9FAP
SCHEMBL8226158 0.59 DPP4 (0.50) DPP4DPP7DPP8DPP9FAP
SCHEMBL8026012 0.59 DPP4 (0.50) DPP4DPP7DPP8DPP9FAP
SCHEMBL26025241 0.59 DPP4 (0.50) DPP4DPP7DPP8DPP9FAP
SCHEMBL20124270 0.59 EPHX1 (0.38) DPP4TP53KDM4EGMNNLMNA

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
WO-2007100374-A9 SOFT PROTEASE INHIBITORS AND PRO-SOFT FORMS THEREOF TUFTS COLLEGE (US) 2007-12-06 — — WO disclosed
WO-2007100374-A2 SOFT PROTEASE INHIBITORS AND PRO-SOFT FORMS THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2007-09-07 — — WO disclosed
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