SCHEMBL23058787

SCHEMBL23058787

CCC[C@@H](N)C(=O)N(Cc1ccccc1)C(C)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ POLB P06746 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ANPEP P15144 1/20 0.40
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ EPOR P19235 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ ATM Q13315 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
SCHEMBL23040134 1.00 MEN1 (0.46) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL23040133 1.00 MEN1 (0.46) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL23039954 0.90 MEN1 (0.48) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL13733686 0.90 MEN1 (0.48) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL23058774 0.90 MEN1 (0.48) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL23039956 0.90 MEN1 (0.48) MEN1KMT2APOLBL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL30521710 0.89 MEN1 (0.47) MEN1KMT2APOLBL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL13733682 0.89 MEN1 (0.47) MEN1KMT2APOLBL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL13733690 0.89 MEN1 (0.47) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL13908363 0.85 KMT2A (0.51) MEN1KMT2APOLBL3MBTL1ALDH1A1

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-2021041588-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-04 — — WO disclosed
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