SCHEMBL7448384

SCHEMBL7448384

N=C(N)NC(CCCB(O)OS(=O)(=O)c1ccccc1)NC(=O)C1(C(=O)NCCCc2ccccc2)CCCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.37
SPHK1 Q9NYA1 5/20 0.35
EPHX2 P34913 2/20 0.34
FKBP1A P62942 2/20 0.34
MME P08473 2/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
GGT1 P19440 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32

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
SCHEMBL7437102 0.92 CA2 (0.33) SPHK1MMP1MMP2MMP3
SCHEMBL7445495 0.89 USP2 (0.32) LMNAMMP2
SCHEMBL7442402 0.88 AKR1C3 (0.39) LMNA
SCHEMBL7445682 0.87 ITGB1 (0.31)
SCHEMBL7433244 0.85 F2 (0.34) F10MMP1
SCHEMBL7429926 0.85 CA12 (0.33) SPHK1PRSS1
SCHEMBL7433114 0.84 TBXA2R (0.30)
SCHEMBL7433865 0.84 ITGB1 (0.31)
SCHEMBL7444716 0.82 MME (0.37) MMEMAPT
SCHEMBL7443545 0.80 ALDH1A1 (0.42) EPHX2

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