SCHEMBL8897467

SCHEMBL8897467

COc1ccc(CC(=N)CO)[n+]([O-])c1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
IDO1 P14902 2/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
PKM P14618 2/20 0.31
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA12 O43570 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30
GAA P10253 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) PRSS1PRSS2PRSS3TSHRCA1
SCHEMBL8896575 0.84 MMP1 (0.31) PRSS1MMP1MMP2MMP13
SCHEMBL8896547 0.77 PRSS1 (0.32) PRSS1PRSS2PRSS3
SCHEMBL8896663 0.76 IDO1 (0.35) IDO1CA2
SCHEMBL8897397 0.75
SCHEMBL1581461 0.74 CA1 (0.39) IDO1TSHRPKMCA1CA2
SCHEMBL31535988 0.74 CA1 (0.39) IDO1TSHRPKMCA1CA2
SCHEMBL8899824 0.70 IDO1 (0.32) IDO1CA2
SCHEMBL8898000 0.69 IDH1 (0.31)
SCHEMBL8897507 0.69 ACHE (0.35)

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