SCHEMBL21855239

SCHEMBL21855239

COc1cccc(C(=O)c2csc([C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)O)C3CCCCC3)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 9/20 0.38
CPT2 P23786 7/20 0.38
CPT1B Q92523 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
ADAM17 P78536 1/20 0.36
ESR1 P03372 1/20 0.35
GRM5 P41594 2/20 0.35

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
SCHEMBL29836916 0.92 USP30 (0.37) CPT1ACPT2CPT1BMEN1KMT2A
SCHEMBL24926173 0.92 USP30 (0.37) CPT1ACPT2CPT1BMEN1KMT2A
SCHEMBL27167595 0.91 CPT1A (0.40) CPT1ACPT2CPT1BESR1
SCHEMBL27167598 0.91 CPT1A (0.40) CPT1ACPT2CPT1BESR1
SCHEMBL21070364 0.91 CPT1A (0.36) CPT1ACPT2CPT1B
SCHEMBL27167593 0.91 CPT1A (0.40) CPT1ACPT2CPT1BESR1
SCHEMBL21070360 0.91 CPT1A (0.36) CPT1ACPT2CPT1B
SCHEMBL21070458 0.91 ESR1 (0.36) CPT1ACPT2CPT1BADAM17ESR1
SCHEMBL23884177 0.91 ESR1 (0.36) CPT1ACPT2CPT1BADAM17ESR1
SCHEMBL21070456 0.91 ESR1 (0.36) CPT1ACPT2CPT1BADAM17ESR1

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
WO-2020081450-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-04-23 WO disclosed