SCHEMBL8434885

SCHEMBL8434885

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
HKDC1 Q2TB90 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
PDE4D Q08499 9/20 0.51
PTGER2 P43116 1/20 0.40
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2B P41595 1/20 0.39
MC3R P41968 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SCN5A Q14524 1/20 0.39
TBXA2R P21731 2/20 0.39
LMNA P02545 1/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38

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
SCHEMBL6695482 1.00 ALDH1A1 (0.52) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL6692594 0.91 ALDH1A1 (0.52) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL6693401 0.91 PDE4D (0.49) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL8430735 0.91 ALDH1A1 (0.52) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL6691941 0.90 ALDH1A1 (0.62) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL6695732 0.87 PDE4D (0.49) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL6695733 0.86 PDE4D (0.36) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL7595295 0.82 ALDH1A1 (0.53) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL6693745 0.82 PDE4D (0.48) ALDH1A1KDM4EHKDC1TDP1SAE1
SCHEMBL6693793 0.82 ALDH1A1 (0.52) 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-5906989-A TREATING GLAUCOMA ALLERGAN SALES, INC. (US) 1999-05-25 US disclosed