SCHEMBL13329892

SCHEMBL13329892

NC(=O)CCN1C(=O)CC(S)C1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
ADAM17 P78536 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP19A1 P11511 3/20 0.35
APEX1 P27695 1/20 0.34
BLM P54132 1/20 0.34
PKM P14618 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL19117072 0.89 CYP19A1 (0.41) ALDH1A1ADAM17CYP19A1GAASMN1; SMN2
SCHEMBL18256793 0.89 CYP19A1 (0.41) ALDH1A1ADAM17CYP19A1GAASMN1; SMN2
SCHEMBL22510548 0.85 CYP19A1 (0.34) ALDH1A1ADAM17CYP19A1PKM
SCHEMBL18180516 0.83 ADAM17 (0.42) ALDH1A1ADAM17CYP19A1
SCHEMBL18929126 0.82 MAPT (0.40) ALDH1A1ADAM17CYP19A1
SCHEMBL19749316 0.81 CYP19A1 (0.39) ADAM17CYP19A1GAAMAPK1SMN1; SMN2
SCHEMBL12283587 0.79 ALDH1A1 (0.38) ALDH1A1L3MBTL1CYP19A1APEX1BLM
SCHEMBL16712848 0.79 ALDH1A1 (0.38) ALDH1A1L3MBTL1CYP19A1APEX1BLM
SCHEMBL18660819 0.79 ALDH1A1 (0.38) ALDH1A1L3MBTL1CYP19A1APEX1BLM
SCHEMBL25633537 0.79 ADAM17 (0.36) ALDH1A1ADAM17CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3862023-A1 CONJUGATES OF CELL-BINDING MOLECULES WITH CYTOTOXIC AGENTS Hangzhou DAC Biotech Co, Ltd (CN) 2021-08-11 EP disclosed
US-20100159455-A1 RECEPTOR FAMILY PROFILING ENSEMBLE DISCOVERY 2010-06-24 US disclosed
WO-2010017328-A2 CYCLODEXTRIN CONJUGATES RGO BIOSCIENCES LLC (US) 2010-02-11 WO disclosed