SCHEMBL14601277

SCHEMBL14601277

CC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](O)C[C@H]1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
KDM4E B2RXH2 2/20 0.66
HKDC1 Q2TB90 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
SAE1 Q9UBE0 1/20 0.66
UBA2 Q9UBT2 1/20 0.66
PTGFR P43088 9/20 0.61
ABCC4 O15439 2/20 0.61
ABCB11 O95342 2/20 0.61
TBXA2R P21731 4/20 0.60
PTGER1 P34995 3/20 0.60
PTGER3 P43115 3/20 0.60
LMNA P02545 2/20 0.60
PTGER4 P35408 1/20 0.60
PTGDR Q13258 1/20 0.60
SLCO2A1 Q92959 1/20 0.60
PGR P06401 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
ADRA2C P18825 1/20 0.58
SLC6A2 P23975 1/20 0.58

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
SCHEMBL29354562 0.90 ALDH1A1 (0.82) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL30442154 0.89 ALDH1A1 (0.71) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL14601303 0.85 PTGFR (0.80) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL20383489 0.85 PTGFR (0.66) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL8903056 0.85 PDE4D (0.70) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL8903053 0.85 PDE4D (0.70) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL8903910 0.85 PDE4D (0.70) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL8903915 0.85 PDE4D (0.70) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL13890717 0.85 ALDH1A1 (0.60) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL16613944 0.83 PDE4D (0.61) ALDH1A1KDM4EHKDC1TDP1SAE1

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-7166730-B2 Process for the preparation of prostaglandin derivatives FINE TECH LABORATORIES, LTD (IL) 2007-01-23 US disclosed