SCHEMBL7301616

SCHEMBL7301616

CCCCC(NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.48
MMP2 P08253 14/20 0.47
MMP1 P03956 9/20 0.47
MMP3 P08254 9/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
MME P08473 1/20 0.46
ECE1 P42892 1/20 0.46
MMP7 P09237 4/20 0.45
BIRC2 Q13490 1/20 0.45

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
SCHEMBL6443866 0.91 MME (0.55) RENMMP2MMP1MMP3MME
SCHEMBL6443858 0.91 MME (0.55) RENMMP2MMP1MMP3MME
SCHEMBL7302834 0.89 MMP2 (0.48) MMP2MMP1MMP3MMP7BIRC2
SCHEMBL7378502 0.84 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL9820278 0.81 REN (0.46) RENMMP2MMP1MMP3HDAC3
SCHEMBL7281516 0.79 REN (0.47) RENMMP1
SCHEMBL9556458 0.79 REN (0.47) RENMMP1
SCHEMBL7280399 0.79 CYP1A2 (0.47)
SCHEMBL17553593 0.78 REN (0.53) RENMMP2MMP1HDAC3HDAC4
SCHEMBL6443855 0.78 MME (0.67) RENMMP2MMEECE1MMP7

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-1989010751-A1 FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed