SCHEMBL7863982

SCHEMBL7863982

CCCCC=CC(=O)O.CCO[C@@H]1C[C@H](O)C(C/C=C\CCCC(=O)O)[C@H]1/C=C/CCCCCCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
PTGFR P43088 4/20 0.48
TBXA2R P21731 4/20 0.48
LMNA P02545 3/20 0.48
PTGER1 P34995 3/20 0.48
PTGER3 P43115 3/20 0.48
SLCO2A1 Q92959 2/20 0.48
PTGER4 P35408 1/20 0.48
PTGDR Q13258 1/20 0.48
HPGD P15428 2/20 0.47
ABCC4 O15439 1/20 0.47
PDE4D Q08499 2/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.42
KDM4E B2RXH2 1/20 0.40
HKDC1 Q2TB90 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
SCHEMBL6694590 0.93 PDE4D (0.50) ALDH1A1PTGFRTBXA2RLMNAPTGER1
SCHEMBL6755613 0.88 ALDH1A1 (0.52) ALDH1A1PTGFRTBXA2RLMNAPTGER1
SCHEMBL6691881 0.87 PTGFR (0.50) ALDH1A1PTGFRTBXA2RLMNAPTGER1
SCHEMBL6692368 0.85 PDE4D (0.42) ALDH1A1PTGFRTBXA2RLMNAPTGER1
SCHEMBL6691943 0.84 PDE4D (0.39) ALDH1A1PTGFRTBXA2RLMNAPTGER1
SCHEMBL6693793 0.83 ALDH1A1 (0.52) ALDH1A1PTGFRTBXA2RLMNAPTGER1
SCHEMBL6690486 0.83 PDE4D (0.49) ALDH1A1PTGFRTBXA2RLMNAPTGER1
SCHEMBL6690724 0.83 PDE4D (0.49) ALDH1A1PTGFRTBXA2RLMNAPTGER1
SCHEMBL8579034 0.83 PDE4D (0.49) ALDH1A1PTGFRTBXA2RLMNAPTGER1
SCHEMBL6696130 0.81 PDE4D (0.45) ALDH1A1PTGFRTBXA2RLMNAPTGER1

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-6303658-B1 THERAPY OF OCULAR HYPERTENSION BY APPLYING CYCLOPENTANE HEPTENOIC ACID OR HEPTANOIC ACID AND/OR DERIVATIVE ALLERGAN SALES, INC. 2001-10-16 US disclosed