SCHEMBL29084572

SCHEMBL29084572

CCCCCC(=O)NN.NCCCCCCN

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 3/20 0.57
CTSD P07339 1/20 0.56
HSP90AA1 P07900 1/20 0.55
FAAH O00519 2/20 0.53
DNM1 Q05193 9/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.52
EPHX1 P07099 1/20 0.52
MAPK1 P28482 1/20 0.50

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
SCHEMBL998990 0.92 CTSD (0.65) CTSDHSP90AA1FAAHDNM1MEN1
SCHEMBL3110219 0.92 CTSD (0.65) CTSDHSP90AA1FAAHDNM1MEN1
SCHEMBL5519669 0.92 CTSD (0.65) CTSDHSP90AA1FAAHDNM1MEN1
SCHEMBL946992 0.92 CTSD (0.65) CTSDHSP90AA1FAAHDNM1MEN1
SCHEMBL1272524 0.92 CTSD (0.65) CTSDHSP90AA1FAAHDNM1MEN1
SCHEMBL945586 0.92 CTSD (0.65) CTSDHSP90AA1FAAHDNM1MEN1
SCHEMBL765863 0.92 CTSD (0.65) CTSDHSP90AA1FAAHDNM1MEN1
SCHEMBL765585 0.92 CTSD (0.65) CTSDHSP90AA1FAAHDNM1MEN1
SCHEMBL2920943 0.92 CTSD (0.65) CTSDHSP90AA1FAAHDNM1MEN1
SCHEMBL944700 0.92 CTSD (0.65) CTSDHSP90AA1FAAHDNM1MEN1

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-115505275-A Low-temperature anti-cracking colored asphalt and preparation method thereof 黑玄土集团有限公司 2022-12-23 CN disclosed