SCHEMBL7659399

SCHEMBL7659399

O=C1OCc2c1cc1cc3c(cc1c2-c1ccc2c(c1)OCO2)OCO3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 16/20 1.00
TOP2A P11388 1/20 0.72
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE1C Q14123 1/20 0.48
PDE3A Q14432 1/20 0.48

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
SCHEMBL30637547 1.00 ALOX5 (1.00) ALOX5TOP2AKDM4EMEN1ALDH1A1
SCHEMBL29582148 1.00 ALOX5 (1.00) ALOX5TOP2AKDM4EMEN1ALDH1A1
Retrojusticidin B SCHEMBL28070386 0.88 ALOX5 (1.00) ALOX5TOP2AKDM4EMEN1ALDH1A1
SCHEMBL7659431 0.85 ALOX5 (0.79) ALOX5TOP2AKDM4EMEN1ALDH1A1
Helioxanthin SCHEMBL2960321 0.82 ALOX5 (0.70) ALOX5TOP2AKDM4EMEN1ALDH1A1
Helioxanthin SCHEMBL29623971 0.82 ALOX5 (0.70) ALOX5TOP2AKDM4EMEN1ALDH1A1
Taiwanin C SCHEMBL27920039 0.80 ALOX5 (1.00) ALOX5TOP2AKDM4EMEN1ALDH1A1
Taiwanin C SCHEMBL31237252 0.80 ALOX5 (1.00) ALOX5TOP2AKDM4EMEN1ALDH1A1
SCHEMBL8085088 0.79 ALOX5 (1.00) ALOX5TOP2AKDM4EMEN1ALDH1A1
SCHEMBL8085298 0.78 ALOX5 (0.73) ALOX5TOP2AKDM4EMEN1ALDH1A1

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
US-6340704-B1 TREATING NERVE DISEASE OR BONE/JOINT DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed