SCHEMBL9737675

SCHEMBL9737675

CCC(=O)C(C)C(C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.40
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 3/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
GABRR1 P24046 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
SLC7A5 Q01650 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
SCHEMBL812149 0.78 TP53 (0.57) FFAR3TP53GABRR1RNPEPALDH1A1
SCHEMBL13310465 0.78 TP53 (0.57) FFAR3TP53GABRR1RNPEPALDH1A1
SCHEMBL812166 0.78 TP53 (0.57) FFAR3TP53GABRR1RNPEPALDH1A1
SCHEMBL715386 0.78 TP53 (0.57) FFAR3TP53GABRR1RNPEPALDH1A1
SCHEMBL83830 0.78 TP53 (0.57) FFAR3TP53GABRR1RNPEPALDH1A1
SCHEMBL3582837 0.77 SLC7A5 (0.50) FFAR3GABRR1SLC7A5
SCHEMBL13502356 0.77 SLC7A5 (0.50) FFAR3GABRR1SLC7A5
SCHEMBL13502362 0.77 SLC7A5 (0.50) FFAR3GABRR1SLC7A5
SCHEMBL269873 0.77
SCHEMBL18416515 0.77

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4321651-A1 COMPOSITION COMPRISING AN ALKANE AND AN OXO ESTER Biosynthis (FR) 2024-02-14 EP disclosed
US-7285372-B2 Radiation-sensitive elements and their storage stability KODAK GRAPHIC COMMUNICATIONS GMBH 2007-10-23 US disclosed
US-5081145-A Contractile prostaglandin antagonists MERCK FROSST CANADA, INC. (CA) 1992-01-14 US disclosed
EP-0166591-B1 INDOLE-2-ALKANOIC ACIDS AND THEIR USE AS PROSTAGLANDIN ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1989-11-23 EP disclosed
EP-0166591-A2 Indole-2-alkanoic acids and their use as prostaglandin antagonists MERCK FROSST CANADA INC. (CA) 1986-01-02 EP disclosed