SCHEMBL8086689

SCHEMBL8086689

COc1ccc2cc3c(c(-c4ccc5c(c4)OCO5)c2c1)CNC3=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.74
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
TOP2A P11388 1/20 0.46
EDNRA P25101 6/20 0.46
EDNRB P24530 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL8085088 0.85 ALOX5 (1.00) ALOX5TOP2AALDH1A1KDM4EMEN1
SCHEMBL8072870 0.85 ALOX5 (0.55) ALOX5SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL8085182 0.83 ALOX5 (0.49) ALOX5SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL8082097 0.82 ALOX5 (0.63) ALOX5SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL8085101 0.82 ALOX5 (0.52) ALOX5SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL8085131 0.81 ALOX5 (0.51) ALOX5KMT2A
SCHEMBL8080571 0.80 ALOX5 (0.62) ALOX5SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL8085115 0.79 ALOX5 (0.53) ALOX5SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL8080847 0.79 ALOX5 (0.64) ALOX5SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL8086679 0.79 ALOX5 (0.48) ALOX5L3MBTL1

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-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 claimed
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