SCHEMBL7444716

SCHEMBL7444716

N=C(N)NC(CCCB(O)OS(=O)(=O)c1ccccc1)NC(=O)C1(C(=O)NC2Cc3ccccc3C2)CCCC1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.37
MAPT P10636 1/20 0.31
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30

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
SCHEMBL7433114 0.89 TBXA2R (0.30)
SCHEMBL7443545 0.88 ALDH1A1 (0.42)
SCHEMBL7445682 0.84 ITGB1 (0.31) ITGB1ITGA4
SCHEMBL7437102 0.83 CA2 (0.33) ITGB1ITGA4
SCHEMBL7445495 0.82 USP2 (0.32) ITGB1ITGA4
SCHEMBL7448384 0.82 MMP8 (0.37) MMEMAPT
SCHEMBL7433244 0.82 F2 (0.34) ITGB1ITGA4
SCHEMBL7433865 0.81 ITGB1 (0.31) ITGB1ITGA4
SCHEMBL7429926 0.79 CA12 (0.33) ITGB1ITGA4
SCHEMBL7442402 0.79 AKR1C3 (0.39)

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-5814622-A COMPOUND USEFUL AS TRYPSIN LIKE SERINE PROTEASE AS THROMBIN INHIBITORS ADIR ET COMPAGNIE (FR) 1998-09-29 US disclosed