SCHEMBL8577842

SCHEMBL8577842

CCO[C@H]1C[C@@H](O)C(C/C=C\CCCCO)[C@@H]1/C=C/CCCCCCOC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
PTGFR P43088 9/20 0.34
LMNA P02545 3/20 0.33
TBXA2R P21731 3/20 0.33
PTGER1 P34995 3/20 0.33
PTGER3 P43115 3/20 0.33
HPGD P15428 2/20 0.33
ABCC4 O15439 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGDR Q13258 1/20 0.33
SLCO2A1 Q92959 1/20 0.33

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
SCHEMBL6691943 0.93 PDE4D (0.39) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL6695733 0.90 PDE4D (0.36) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL6694952 0.86 PDE4D (0.39) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL6690719 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL6693793 0.85 ALDH1A1 (0.52) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL6690354 0.85 PDE4D (0.40) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL6692368 0.85 PDE4D (0.42) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL6694590 0.85 PDE4D (0.50) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL6694963 0.84 PDE4D (0.39) PDE4DALDH1A1KDM4EHKDC1TDP1
SCHEMBL6694950 0.84 PDE4D (0.39) PDE4DALDH1A1KDM4EHKDC1TDP1

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-5798378-A TREATMENT OF OCULAR HYPERTENSION ALLERGAN (US) 1998-08-25 US disclosed