SCHEMBL8080333

SCHEMBL8080333

O=C1NCc2c1cc1ccc3c(c1c2-c1ccc(OCc2ccccc2)cc1)OCO3

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
MAOB P27338 7/20 0.44
EDNRB P24530 4/20 0.42
EDNRA P25101 4/20 0.42
GSTP1 P09211 2/20 0.41
AURKA O14965 1/20 0.39
KDR P35968 1/20 0.39
MAOA P21397 4/20 0.39
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
GRM5 P41594 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL8081502 0.86 ALOX5 (0.55) ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL8080340 0.86 ALOX5 (0.45) ALOX5EDNRBEDNRALMNAALDH1A1
SCHEMBL8081504 0.85 MAOB (0.46) ALOX5MAOBEDNRBEDNRAGSTP1
SCHEMBL8085115 0.84 ALOX5 (0.53) ALOX5AURKAKDRLMNANPC1
SCHEMBL8072504 0.82 ALOX5 (0.56) ALOX5AURKAALDH1A1HPGDSMN1; SMN2
Oxalic Acid SCHEMBL8086844 0.81 ALOX5 (0.43) ALOX5EDNRBEDNRALMNAALDH1A1
SCHEMBL8080562 0.80 ALOX5 (0.56) ALOX5NPSR1
SCHEMBL8084927 0.80 ALOX5 (0.56) ALOX5GRM5
SCHEMBL8084967 0.80 ALOX5 (0.56) ALOX5KDRNPC1ALDH1A1RAB9A
SCHEMBL2952410 0.80 ALOX5 (0.71) ALOX5LMNANPC1ALDH1A1NFKB1

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