SCHEMBL8947908

SCHEMBL8947908

CCC(C(=O)O)N(C(=O)[C@H](CC(=O)NCC1CN(C=NN)CCO1)S(=O)(=O)c1ccc2ccccc2c1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.36
KCNA5 P22460 1/20 0.34
MMP1 P03956 1/20 0.33
MMP7 P09237 1/20 0.33
ACE P12821 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
TRPA1 O75762 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
SCHEMBL8947916 0.88 F2 (0.46) F2
SCHEMBL7300388 0.86 F2 (0.39) F2KCNA5LMNATRPA1
Hydrochloric Acid SCHEMBL8947543 0.86 F2 (0.40) F2KCNA5LMNATRPA1
SCHEMBL7304748 0.80 F2 (0.36) F2KCNA5LMNATRPA1
SCHEMBL8719573 0.80 F2 (0.36) F2KCNA5LMNATRPA1
SCHEMBL7300396 0.74 F2 (0.49) F2
SCHEMBL8947905 0.74 F2 (0.39) F2LMNA
Hydrochloric Acid SCHEMBL8947545 0.74 F2 (0.49) F2
Trifluoroacetic Acid SCHEMBL8948194 0.73 F2 (0.46) F2
SCHEMBL7304323 0.73 F2 (0.44) F2

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-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US claimed