SCHEMBL8437236

SCHEMBL8437236

CCCO[C@@H]1C[C@H](O)C(C/C=C\CCCC(N)=O)[C@@H]1/C=C/CCCCCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
ABCC4 O15439 1/20 0.42
PDE4D Q08499 5/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
TBXA2R P21731 4/20 0.41
PTGFR P43088 4/20 0.41
PTGER1 P34995 3/20 0.41
PTGER3 P43115 3/20 0.41
PTGER4 P35408 1/20 0.41
PTGDR Q13258 1/20 0.41
SLCO2A1 Q92959 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL6692235 1.00 LMNA (0.42) LMNAHPGDABCC4PDE4DALDH1A1
SCHEMBL7600604 1.00 LMNA (0.42) LMNAHPGDABCC4PDE4DALDH1A1
SCHEMBL6691881 0.92 PTGFR (0.50) LMNAHPGDABCC4PDE4DALDH1A1
SCHEMBL6692368 0.92 PDE4D (0.42) LMNAHPGDABCC4PDE4DALDH1A1
SCHEMBL6694952 0.92 PDE4D (0.39) LMNAHPGDABCC4PDE4DALDH1A1
SCHEMBL7595295 0.90 ALDH1A1 (0.53) LMNAHPGDABCC4PDE4DALDH1A1
SCHEMBL6694635 0.88 PDE4D (0.43) LMNAHPGDABCC4PDE4DALDH1A1
SCHEMBL6759590 0.88 PDE4D (0.54) LMNAHPGDABCC4PDE4DALDH1A1
SCHEMBL6755597 0.88 PDE4D (0.54) LMNAHPGDABCC4PDE4DALDH1A1
SCHEMBL6691950 0.88 PDE4D (0.42) LMNAHPGDABCC4PDE4DALDH1A1

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-5906989-A TREATING GLAUCOMA ALLERGAN SALES, INC. (US) 1999-05-25 US disclosed