SCHEMBL7655331

SCHEMBL7655331

CCOc1cc2cc(C(=O)NC)c(CO)c(-c3ccc4c(c3)OCO4)c2cc1OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.52
PDE1A P54750 3/20 0.46
PDE1B Q01064 3/20 0.46
PDE1C Q14123 3/20 0.46
HPGD P15428 4/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
PDE5A O76074 2/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
PDE3B Q13370 2/20 0.39

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
SCHEMBL7662370 0.89 ALOX5 (0.65) ALOX5PDE1APDE1BPDE1CHPGD
SCHEMBL6913771 0.79 ALOX5 (0.48) ALOX5PDE1APDE1BPDE1CHPGD
SCHEMBL7659431 0.71 ALOX5 (0.79) ALOX5PDE1APDE1BPDE1CHPGD
SCHEMBL7656347 0.71 ALOX5 (0.39) ALOX5HPGDPOLBMEN1KMT2A
SCHEMBL15920800 0.71 MAPT (0.52) ALOX5PDE1APDE1BPDE1CHPGD
SCHEMBL7656298 0.71 TDP1 (0.39) ALOX5HPGDPOLBMEN1KMT2A
SCHEMBL7657876 0.70 ALDH1A1 (0.40) HPGDMEN1KMT2AMAPTHSD17B10
SCHEMBL7660368 0.70 MAPT (0.39) ALOX5HPGDPOLBMEN1KMT2A
SCHEMBL7655215 0.70 PTGS2 (0.41) ALOX5KMT2AMAPTKDM4ETP53
SCHEMBL7652528 0.69 EDNRA (0.48) ALOX5HPGDMEN1KMT2AMAPT

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-6340704-B1 TREATING NERVE DISEASE OR BONE/JOINT DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed