SCHEMBL9832812

SCHEMBL9832812

CC(C)S(=O)(=O)CC(F)(F)C(=O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.35
CTSK P43235 4/20 0.35
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
CTSH P09668 2/20 0.33
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
CPB2 Q96IY4 1/20 0.32
ALOX5 P09917 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
SCHEMBL7589493 0.81 REN (0.35) RENCTSKCTSLCTSBCTSH
SCHEMBL7051728 0.81 REN (0.35) RENCTSKCTSLCTSBCTSH
SCHEMBL9832260 0.78 CTSK (0.36) RENCTSKCTSLCTSBCTSH
SCHEMBL7440684 0.77 REN (0.38) RENCTSKCTSLCTSBCTSH
SCHEMBL7440693 0.77 REN (0.38) RENCTSKCTSLCTSBCTSH
SCHEMBL9833386 0.75 REN (0.40) RENMETAP2METAP1CPB2
SCHEMBL7321856 0.75 REN (0.40) RENMETAP2METAP1CPB2
SCHEMBL17789278 0.74 METAP1 (0.40) RENCTSKCTSLCTSBCTSH
SCHEMBL30415115 0.74 METAP1 (0.40) RENCTSKCTSLCTSBCTSH
SCHEMBL7589499 0.73 REN (0.36) RENCTSKCTSLCTSBCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0142152-B1 Novel substituted 1,2,4-triazolo- [1,5-a] pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1991-03-20 EP disclosed
EP-0258289-A4 PEPTIDE ANALOGS 1991-01-02 EP disclosed
US-4857507-A HYPOTENSIVE AGENT ABBOTT LABORATORIES (US) 1989-08-15 US disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed
EP-0142152-A2 Novel substituted 1,2,4-triazolo- [1,5-a] pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1985-05-22 EP disclosed