SCHEMBL9167972

SCHEMBL9167972

CC(C)(CS)C(=O)N[C@@H](CS)C(=O)NCCCCCN

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
GRIA1 P42261 6/20 0.46
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
PAOX Q6QHF9 2/20 0.41
CHRND Q07001 6/20 0.40
CHRNA1 P02708 2/20 0.40
CHRNG P07510 2/20 0.40
CHRNB1 P11230 2/20 0.40
TLR2 O60603 1/20 0.38

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
SCHEMBL7619519 1.00 SIRT6 (0.47) SIRT6SIRT1GRIA1GNAI3GNAO1
SCHEMBL929126 1.00 SIRT6 (0.47) SIRT6SIRT1GRIA1GNAI3GNAO1
SCHEMBL929571 1.00 SIRT6 (0.47) SIRT6SIRT1GRIA1GNAI3GNAO1
Hydrochloric Acid SCHEMBL9472559 0.99 SIRT6 (0.46) SIRT6SIRT1GRIA1GNAI3GNAO1
Hydrochloric Acid SCHEMBL27630023 0.99 SIRT6 (0.46) SIRT6SIRT1GRIA1GNAI3GNAO1
Hydrochloric Acid SCHEMBL7621165 0.99 SIRT6 (0.46) SIRT6SIRT1GRIA1GNAI3GNAO1
Hydrochloric Acid SCHEMBL27630114 0.99 SIRT6 (0.46) SIRT6SIRT1GRIA1GNAI3GNAO1
SCHEMBL9164359 0.99 SIRT6 (0.45) SIRT6SIRT1GRIA1GNAI3GNAO1
SCHEMBL930922 0.99 SIRT6 (0.45) SIRT6SIRT1GRIA1GNAI3GNAO1
Hydrochloric Acid SCHEMBL9472254 0.97 SIRT6 (0.44) SIRT6SIRT1GRIA1GNAI3GNAO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0455833-B1 AMINO ACID DERIVATIVE SANTEN PHARMACEUTICAL CO LTD (JP) 1995-04-19 EP disclosed
EP-0455833-A1 AMINO ACID DERIVATIVE SANTEN PHARMACEUTICAL CO., LTD. (JP) 1991-11-13 EP disclosed