SCHEMBL16573484

SCHEMBL16573484

CCCCCCCCCCCCCCCC(=O)NCCCCC(NC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O)C(=O)NNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAOB P27338 3/20 0.42
▸ ATM Q13315 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ USP2 O75604 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SLC16A3 O15427 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ SLC16A1 P53985 1/20 0.42
▸ MET P08581 2/20 0.42
▸ SIRT2 Q8IXJ6 2/20 0.42
▸ GBA1 P04062 1/20 0.41
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL16573483 0.91 MEN1 (0.40) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL16573485 0.87 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL16573482 0.86 ALDH1A1 (0.52) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL21806091 0.80 ALDH1A1 (0.52) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL21615668 0.77 KMT2A (0.60) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL17737793 0.76 KMT2A (0.65) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL8398863 0.74 KMT2A (0.60) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL30898572 0.73 ALDH1A1 (0.55) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL19423826 0.73 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL25168007 0.73 KMT2A (0.61) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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-2848696-A1 Caspase-1 imaging probes Sanofi-Aventis Deutschland GmbH (DE) 2015-03-18 — — EP disclosed
Send feedback