SCHEMBL8080340

SCHEMBL8080340

COc1cc(-c2c3c(cc4ccc5c(c24)OCO5)C(=O)NC3)ccc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.45
TOP2A P11388 1/20 0.42
EDNRB P24530 2/20 0.41
EDNRA P25101 2/20 0.41
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
ERN1 O75460 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
HTT P42858 1/20 0.37
CISD1 Q9NZ45 1/20 0.37

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
SCHEMBL2951387 0.89 ALOX5 (0.53) ALOX5TOP2AEDNRBEDNRALMNA
SCHEMBL8080333 0.86 ALOX5 (0.47) ALOX5EDNRBEDNRALMNAALDH1A1
SCHEMBL8086646 0.83 ALOX5 (0.51) ALOX5TOP2ALMNAKDM4EALDH1A1
SCHEMBL8081527 0.81 ALOX5 (0.48) ALOX5TOP2ALMNAALDH1A1HSD17B10
SCHEMBL8081502 0.80 ALOX5 (0.55) ALOX5KDM4EKMT2AMEN1CYP1A1
SCHEMBL8085115 0.80 ALOX5 (0.53) ALOX5TOP2ALMNAKDM4EALDH1A1
SCHEMBL2952410 0.78 ALOX5 (0.71) ALOX5LMNAKDM4EALDH1A1KMT2A
SCHEMBL8072504 0.76 ALOX5 (0.56) ALOX5KDM4EALDH1A1KMT2AMEN1
SCHEMBL8084967 0.76 ALOX5 (0.56) ALOX5KDM4EALDH1A1KMT2AMEN1
SCHEMBL8080571 0.76 ALOX5 (0.62) ALOX5TOP2AEDNRBLMNAKDM4E

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-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