SCHEMBL8896575

SCHEMBL8896575

COCCOc1ccc(CC(=N)CO)[n+]([O-])c1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.31
MMP2 P08253 2/20 0.31
MMP3 P08254 2/20 0.31
MMP7 P09237 1/20 0.31
PRSS1 P07477 2/20 0.31
MMP13 P45452 1/20 0.31
ACACB O00763 1/20 0.30
CYP3A4 P08684 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8897555 0.85 PRSS1 (0.38) PRSS1SMN1; SMN2
SCHEMBL8897467 0.84 PRSS1 (0.33) MMP1MMP2PRSS1MMP13
SCHEMBL8895892 0.73 GPR84 (0.31)
SCHEMBL8896663 0.71 IDO1 (0.35) SMN1; SMN2
SCHEMBL8899072 0.70 F11 (0.30)
SCHEMBL8897883 0.69
SCHEMBL8897754 0.69
SCHEMBL8895776 0.69 GPR84 (0.32)
SCHEMBL8896294 0.69 GPR84 (0.32)
SCHEMBL8896547 0.66 PRSS1 (0.32) PRSS1

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-5627136-A HERBICIDES, ANTIGROWTH REGULATORS AND PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1997-05-06 US disclosed