SCHEMBL23615392

SCHEMBL23615392

CCC(C)C(CC)C(=O)C(CCCCN)NC=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 2/20 0.36
▸ ADH1B P00325 1/20 0.35
▸ ADH1C P00326 1/20 0.35
▸ ADH1A P07327 1/20 0.35
▸ ADH4 P08319 1/20 0.35
▸ ADH7 P40394 1/20 0.35
▸ GNAI3 P08754 1/20 0.35
▸ GNAO1 P09471 1/20 0.35
▸ GNAI1 P63096 1/20 0.35
▸ SIRT6 Q8N6T7 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ SLC6A5 Q9Y345 1/20 0.34
▸ GSR P00390 1/20 0.34
▸ FOLH1 Q04609 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ NMT2 O60551 1/20 0.30
▸ NMT1 P30419 1/20 0.30
▸ RNPEP Q9H4A4 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
SCHEMBL16557197 0.82 GSR (0.40) CPB2ADH1BADH1CADH1AADH4
SCHEMBL20054902 0.78 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL17210488 0.75 GSR (0.42) CPB2ADH1BADH1CADH1AADH4
SCHEMBL18105654 0.73 GSR (0.44) CPB2ADH1BADH1CADH1AADH4
SCHEMBL13218612 0.73 GSR (0.44) CPB2ADH1BADH1CADH1AADH4
SCHEMBL28786641 0.73 GSR (0.53) CPB2SLC6A5GSRFOLH1RNPEP
SCHEMBL1168516 0.73 GSR (0.53) CPB2SLC6A5GSRFOLH1RNPEP
SCHEMBL1168511 0.73 GSR (0.53) CPB2SLC6A5GSRFOLH1RNPEP
SCHEMBL23300771 0.72 CPB2 (0.41) CPB2GNAI3GNAO1GNAI1SIRT6
SCHEMBL14365981 0.72 CPB2 (0.41) CPB2GNAI3GNAO1GNAI1SIRT6

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
EP-3327027-B9 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2021-07-07 — — EP disclosed
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