SCHEMBL28640435

SCHEMBL28640435

CCCCC(C)Cc1[c]cccc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.33
POLB P06746 1/20 0.33
BDKRB2 P30411 1/20 0.33
CSNK1E P49674 1/20 0.30
CNR2 P34972 1/20 0.30
CTSK P43235 2/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSH P09668 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
SCHEMBL3408683 0.89 TSHR (0.31)
SCHEMBL19405399 0.85
SCHEMBL19405505 0.85
SCHEMBL19405436 0.85
SCHEMBL1071095 0.82 TRPA1 (0.32)
SCHEMBL340706 0.81 ALDH1A1 (0.41) BDKRB2
SCHEMBL3669480 0.80 PRSS1 (0.38) BDKRB2CSNK1ECNR2
SCHEMBL5207741 0.79 ACE2 (0.37) CSNK1ECNR2
SCHEMBL3676969 0.78 PRSS1 (0.39) CSNK1ECNR2
SCHEMBL3677339 0.78 PRSS1 (0.39) CSNK1ECNR2

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
CN-105980386-B Pyrazolo compounds and uses thereof 基因泰克公司 2021-08-13 CN disclosed