SCHEMBL8908885

SCHEMBL8908885

CSCC(NC(=O)OC(CC1CCCCC1)C(O)C(O)C1CC1)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.42
CTSK P43235 6/20 0.36
CTSS P25774 1/20 0.36
CPB2 Q96IY4 4/20 0.36
TSHR P16473 1/20 0.35
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
EPHX1 P07099 1/20 0.32
CTSH P09668 1/20 0.32
HPGDS O60760 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
SCHEMBL8908872 0.78 REN (0.44) RENCTSKCTSSTSHRCTSL
SCHEMBL8909234 0.77 P2RX1 (0.50) REN
SCHEMBL9219308 0.74 EPHX1 (0.39) CTSKCPB2CTSLCTSBEPHX1
SCHEMBL9219298 0.74 EPHX1 (0.39) CTSKCPB2CTSLCTSBEPHX1
SCHEMBL9256057 0.71 REN (0.56) RENTSHR
SCHEMBL8909805 0.71 REN (0.56) RENTSHR
SCHEMBL7276949 0.71 REN (0.56) RENTSHR
SCHEMBL9800557 0.70 REN (0.61) RENCPB2
SCHEMBL8908881 0.69 REN (0.41) RENCTSKCTSSEPHX1
SCHEMBL9106410 0.67 CTSK (0.65) RENCTSKCTSSCTSLCTSB

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-5688946-A DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS HOFFMANN LA ROCHE INC. (US) 1997-11-18 US disclosed