SCHEMBL22589699

SCHEMBL22589699

CC[C@@]1(O)C[C@H](OC2CC(N(C)C)C(O)C(C)O2)c2c(O)c3c(c(O)c2[C@H]1OC1CC(N(C)C)C(O)C(C)O1)C(=O)c1cccc(O)c1C3=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.72
KMT2A Q03164 11/20 0.72
RECQL P46063 8/20 0.72
MAPT P10636 7/20 0.72
SMN1; SMN2 Q16637 7/20 0.72
USP2 O75604 6/20 0.72
CYP3A4 P08684 5/20 0.72
TP53 P04637 2/20 0.72
HBB P68871 1/20 0.72
THRB P10828 10/20 0.65
BLM P54132 9/20 0.65
KDM4E B2RXH2 4/20 0.65
CASP1 P29466 2/20 0.65
HSD17B10 Q99714 2/20 0.65
S100A4 P26447 6/20 0.58
PAX8 Q06710 5/20 0.58
HSP90AA1 P07900 4/20 0.58
MMP2 P08253 3/20 0.57
PTGS1 P23219 3/20 0.57
HTR2B P41595 2/20 0.57

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
SCHEMBL30714406 1.00 MEN1 (0.72) MEN1KMT2ARECQLMAPTSMN1; SMN2
SCHEMBL2136732 1.00 MEN1 (0.72) MEN1KMT2ARECQLMAPTSMN1; SMN2
SCHEMBL14214095 0.89 MEN1 (0.85) MEN1KMT2ARECQLMAPTSMN1; SMN2
SCHEMBL30864532 0.88 PTGS1 (0.65) MEN1KMT2ARECQLMAPTSMN1; SMN2
Iremycin SCHEMBL30003721 0.87 MEN1 (0.61) MEN1KMT2ARECQLMAPTSMN1; SMN2
Rodorubicin SCHEMBL8693 0.87 MEN1 (0.58) MEN1KMT2ARECQLMAPTSMN1; SMN2
Rodorubicin SCHEMBL29352818 0.87 MEN1 (0.58) MEN1KMT2ARECQLMAPTSMN1; SMN2
SCHEMBL18593715 0.85 MEN1 (0.62) MEN1KMT2ARECQLMAPTSMN1; SMN2
SCHEMBL29711323 0.85 MEN1 (0.63) MEN1KMT2ARECQLMAPTSMN1; SMN2
Cosmomycin C SCHEMBL30610383 0.85 PTGS1 (0.62) MEN1KMT2ARECQLMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220196660-A1 Methods for Modulation of Acetyltransferase Activity and Applications Thereof Including Treatments THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-06-23 US disclosed
WO-2020219598-A1 METHODS FOR MODULATION OF ACETYLTRANSFERASE ACTIVITY AND APPLICATIONS THEREOF INCLUDING TREATMENTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-10-29 WO disclosed