SCHEMBL8085138

SCHEMBL8085138

CCCOc1c2c(c(-c3ccc4c(c3)OCO4)c3c4c(ccc13)OCO4)CNC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.46
EDNRB P24530 5/20 0.40
EDNRA P25101 5/20 0.40
PARP1 P09874 1/20 0.38
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 1/20 0.35
BRD4 O60885 2/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL8085156 0.94 ALOX5 (0.44) ALOX5EDNRBEDNRAPARP1ALDH1A1
SCHEMBL8072357 0.90 ALOX5 (0.44) ALOX5EDNRBEDNRAPARP1ALDH1A1
Dimethylamine SCHEMBL8072362 0.90 ALOX5 (0.45) ALOX5EDNRBEDNRAPARP1ALDH1A1
SCHEMBL8080610 0.87 ALOX5 (0.50) ALOX5EDNRBEDNRAALDH1A1MAPT
SCHEMBL8085135 0.85 ALOX5 (0.47) ALOX5EDNRBEDNRAALDH1A1MAPT
SCHEMBL8080604 0.83 ALOX5 (0.50) ALOX5ALDH1A1MAPTMEN1KMT2A
SCHEMBL8084922 0.82 ALOX5 (0.53) ALOX5ALDH1A1MAPTMEN1KMT2A
Dimethylamine SCHEMBL8081518 0.81 ALOX5 (0.47) ALOX5ALDH1A1MAPTMEN1KMT2A
SCHEMBL8082048 0.79 MEN1 (0.39) ALOX5EDNRBEDNRAPARP1ALDH1A1
SCHEMBL8081513 0.77 ALOX5 (0.46) ALOX5ALDH1A1MAPTMEN1KMT2A

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 3 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 disclosed
EP-0920416-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-06-09 EP disclosed
WO-1998007705-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-26 WO disclosed