SCHEMBL22147479

SCHEMBL22147479

COc1cc(C)c(C[C@H](NC(C)C)C(C)=O)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
HPGD P15428 3/20 0.39
CYP3A4 P08684 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.36
ACACB O00763 1/20 0.36
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL26429862 0.87 KMT2A (0.39) LMNAHPGDCYP3A4L3MBTL1KMT2A
SCHEMBL18659591 0.77 ALOX15 (0.43) LMNAL3MBTL1KMT2AACACBMEN1
SCHEMBL10477398 0.77 CYP3A4 (0.42) HPGDCYP3A4L3MBTL1KMT2AACACB
SCHEMBL10637181 0.76 CYP3A4 (0.44) HPGDCYP3A4KMT2APOLBSMN1; SMN2
SCHEMBL10637176 0.76 CYP3A4 (0.44) HPGDCYP3A4KMT2APOLBSMN1; SMN2
SCHEMBL10636928 0.76 CYP3A4 (0.41) HPGDCYP3A4KMT2AMEN1TSHR
SCHEMBL10636921 0.76 CYP3A4 (0.41) HPGDCYP3A4KMT2AMEN1TSHR
SCHEMBL13254073 0.70 OPRM1 (0.37)
SCHEMBL26428476 0.70 OPRM1 (0.37)
SCHEMBL21062348 0.69 SLC7A5 (0.46) KMT2AMEN1TSHRALDH1A1

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-2020131283-A1 ANALOGS THAT TARGET MITOCHONDRIAL DISEASES STEALTH BIOTHERAPEUTICS CORP. (MC) 2020-06-25 WO disclosed