SCHEMBL23724050

SCHEMBL23724050

Cc1c(C(=O)Oc2cccc3c2C(=O)c2ccccc2C3=O)c(O)cc2c1C(=O)c1c(O)cccc1C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPK1 P28482 3/20 0.49
TSHR P16473 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ELANE P08246 3/20 0.49
USP2 O75604 2/20 0.49
CYP3A4 P08684 2/20 0.49
RECQL P46063 2/20 0.49
BRCA1 P38398 1/20 0.49
SLC37A4 O43826 5/20 0.48
JUN P05412 1/20 0.47
EGFR P00533 1/20 0.46
PIM1 P11309 1/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46

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
SCHEMBL3670424 0.84 JUN (0.68) ALDH1A1MAPTMEN1KMT2AMAPK1
Aloesaponarin I SCHEMBL13317456 0.83 ITGA2 (0.57) ALDH1A1MAPTMEN1KMT2AMAPK1
Aloesaponarin I SCHEMBL29657074 0.83 ITGA2 (0.57) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL8952406 0.81 SLC37A4 (0.58) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL16225976 0.80 EGFR (0.56) MEN1KMT2AELANESLC37A4EGFR
SCHEMBL2957879 0.80 MEN1 (0.52) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL30848230 0.79 SLC37A4 (0.67) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL5142787 0.79 SLC37A4 (0.67) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL16227363 0.76 EGFR (0.57) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL2955404 0.76 BCL2 (0.47) ALDH1A1MAPTMEN1KMT2AELANE

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-2021156406-A1 PROCESS FOR PREPARING 8-HYDROXY-9,10-DIOXO-ANTHRACENE-1-CARBOXYLIC ACID PILI (FR) 2021-08-12 WO disclosed