SCHEMBL8072485

SCHEMBL8072485

N#CCc1c(CO)cc2ccc3c(c2c1-c1ccc(F)cc1)OCO3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
PTGS2 P35354 2/20 0.39
ADORA1 P30542 2/20 0.36
ADORA2A P29274 1/20 0.36
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
PRKAA2 P54646 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
RAB9A P51151 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL8085083 0.89 ALOX5 (0.55) ALOX5PTGS2ADORA1ADORA2ATSHR
SCHEMBL8072500 0.85 XDH (0.37) PTGS2ADORA1ADORA2ATSHRALDH1A1
SCHEMBL8081276 0.78 ALDH1A1 (0.33) PTGS2ADORA1ADORA2ATSHRALDH1A1
SCHEMBL6913485 0.77 ALOX5 (0.72) ALOX5ADORA1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8086618 0.77 ALOX5 (0.52) ALOX5PTGS2ALDH1A1KMT2AMEN1
SCHEMBL8081890 0.75 ALOX5 (0.62) ALOX5ADORA1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8080370 0.75 ALOX5 (0.52) ALOX5TSHRALDH1A1HPGDKMT2A
SCHEMBL7655215 0.74 PTGS2 (0.41) ALOX5PTGS2HSP90AA1HSP90AB1KMT2A
SCHEMBL8072723 0.74 ALOX5 (0.36) ALOX5PTGS2ALDH1A1HPGDKMT2A
SCHEMBL8081282 0.73 ALDH1A1 (0.32) PTGS2TSHRALDH1A1HPGDALOX15

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