SCHEMBL19158987

SCHEMBL19158987

CCN(CC)c1ccc2cc(C(=O)NCCCCC(NC(C)(C)C)C(=O)C(C)(C)C)c(=O)oc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ MAPT P10636 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ ATM Q13315 4/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ MAOB P27338 3/20 0.54
▸ HPGD P15428 3/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ USP2 O75604 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ SLC16A3 O15427 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ SLC16A1 P53985 1/20 0.54
▸ NPC1 O15118 1/20 0.53
▸ STAT3 P40763 1/20 0.53
▸ STAT1 P42224 1/20 0.53
▸ RAB9A P51151 1/20 0.53

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
SCHEMBL12221079 0.85 KMT2A (0.59) KMT2AMEN1MAPTALDH1A1ATM
SCHEMBL19158900 0.84 NPC1 (0.56) ALDH1A1MAOBHPGDKDM4EHSD17B10
SCHEMBL27099971 0.84 KMT2A (0.57) KMT2AMEN1MAPTALDH1A1ATM
SCHEMBL21806091 0.83 ALDH1A1 (0.52) KMT2AMEN1MAPTALDH1A1ATM
SCHEMBL17737793 0.82 KMT2A (0.65) KMT2AMEN1MAPTALDH1A1ATM
SCHEMBL13521824 0.82 ALDH1A1 (0.60) KMT2AMEN1MAPTALDH1A1ATM
SCHEMBL22473845 0.81 KMT2A (0.64) KMT2AMEN1MAPTALDH1A1ATM
SCHEMBL28625138 0.81 GBA1 (0.52) KMT2AMEN1MAPTALDH1A1ATM
SCHEMBL17742665 0.81 KMT2A (0.65) KMT2AMEN1MAPTALDH1A1ATM
SCHEMBL13403918 0.80 KMT2A (0.71) KMT2AMEN1MAPTALDH1A1ATM

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-2303908-B1 FLUORESCENT CYCLIC PEPTIDES, METHODS FOR THE PREPARATION THEREOF, AND USE OF SAID PEPTIDES FOR MEASURING THE ENZYMATIC ACTIVITY OF A PROTEASE ENZYME COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-07-26 — — EP disclosed
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