SCHEMBL7656265

SCHEMBL7656265

COc1ccc(-c2c3c(cc4ccc5c(c24)OCO5)C(=O)OC3)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.60
TOP2A P11388 1/20 0.53
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE1C Q14123 1/20 0.41
PDE3A Q14432 1/20 0.41
APP P05067 1/20 0.41
ACHE P22303 1/20 0.41
PRF1 P14222 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL8080529 0.88 ALOX5 (0.54) ALOX5TOP2APDE1APDE1BPDE3B
SCHEMBL8084991 0.87 TOP2A (0.70) ALOX5TOP2APDE1APDE1BPDE3B
SCHEMBL8084873 0.86 ALOX5 (0.64) ALOX5TOP2A
SCHEMBL7655746 0.85 ALOX5 (0.54) ALOX5TOP2AKDM4EMEN1KMT2A
SCHEMBL7656932 0.85 ALOX5 (0.54) ALOX5TOP2AKDM4E
SCHEMBL7654491 0.85 ALOX5 (0.61) ALOX5TOP2A
Helioxanthin SCHEMBL2960321 0.85 ALOX5 (0.70) ALOX5TOP2AKDM4EMEN1ALDH1A1
Helioxanthin SCHEMBL29623971 0.85 ALOX5 (0.70) ALOX5TOP2AKDM4EMEN1ALDH1A1
SCHEMBL8082187 0.85 PDE1A (0.60) ALOX5TOP2APDE1APDE1BPDE3B
SCHEMBL19367502 0.85 TOP2A (0.58) ALOX5TOP2APDE1APDE1BPDE3B

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-6340704-B1 TREATING NERVE DISEASE OR BONE/JOINT DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed
US-6030967-A AND/OR LIKE NEUROTROPHIC FACTOR (FOR EXAMPLE, NERVE GROWTH FACTOR (NGF), BRAIN-DERIVED NEUROTROPHIC FACTOR, NEUROTROPHIN-3, AND GLIAL CELL LINE-DERIVED NEUROTROPHIC FACTOR)-LIKE ACTIVITY; OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-29 US disclosed