SCHEMBL8906704

SCHEMBL8906704

N=C(N)c1ccc(C(CCC(=O)ON)C(=O)CCC(N)=O)cc1Cl

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 1/20 0.31
KLK5 Q9Y337 1/20 0.31
F7 P08709 2/20 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
SCHEMBL8503669 0.81 CPN1 (0.46)
SCHEMBL8905460 0.69 CPN1 (0.47)
Hydrochloric Acid SCHEMBL8904495 0.68 MAPT (0.38) KLK1KLK5
SCHEMBL11079232 0.65 TNF (0.44)
SCHEMBL7815005 0.60 AKR1C3 (0.42)
SCHEMBL7847848 0.60 KMT2A (0.44)
SCHEMBL29223488 0.60 ADRB2 (0.40)
SCHEMBL2480498 0.59 FFAR1 (0.47)
SCHEMBL15700014 0.58
SCHEMBL27645751 0.58 TSHR (0.57)

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-5703125-A MELT BLEND OF SOAP, SURFACTANT AND SOLVENT G. D. SEARLE & CO. (US) 1997-12-30 US disclosed