SCHEMBL8085182

SCHEMBL8085182

COc1ccc2cc3c(c(-c4ccc5c(c4)OCO5)c2c1)C(=O)NC3=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 1/20 0.49
EDNRA P25101 6/20 0.47
EDNRB P24530 2/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL8085334 0.85 ALOX5 (0.66) ALOX5MAPTALDH1A1KDM4EMEN1
SCHEMBL8082188 0.84 ALOX5 (0.49) ALOX5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8086689 0.83 ALOX5 (0.74) ALOX5SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL8086684 0.82 MAPT (0.56) ALOX5SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL8080372 0.80 ALOX5 (0.46) ALOX5SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL8086701 0.79 ALOX5 (0.46) ALOX5KMT2A
SCHEMBL8072455 0.79 ALDH1A1 (0.48) ALOX5SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL8080438 0.78 ALOX5 (0.52) ALOX5SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL8080517 0.78 APP (0.41) ALOX5SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL8081532 0.76 ALOX5 (0.43) ALOX5

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