SCHEMBL9736245

SCHEMBL9736245

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
FFAR3 O14843 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.38
BHMT Q93088 1/20 0.37
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL12258200 0.89 TDP1 (0.53) TDP1FFAR3SMN1; SMN2ALDH1A1
SCHEMBL258152 0.84 SLC22A6 (0.50) TDP1FFAR3SMN1; SMN2SLC22A6BHMT
SCHEMBL6738239 0.81 SLC22A6 (0.47) TDP1FFAR3SMN1; SMN2SLC22A6BHMT
SCHEMBL14109598 0.81 SLC22A6 (0.47) TDP1FFAR3SMN1; SMN2SLC22A6BHMT
Ammonia Solution, Strong SCHEMBL28582304 0.81 TDP1 (0.53) TDP1FFAR3SMN1; SMN2SLC22A6BHMT
SCHEMBL10902055 0.81 SLC22A6 (0.47) TDP1FFAR3SMN1; SMN2SLC22A6BHMT
SCHEMBL11112412 0.81 SLC22A6 (0.47) TDP1FFAR3SMN1; SMN2SLC22A6BHMT
Ethane SCHEMBL5968227 0.81 SLC22A6 (0.47) TDP1FFAR3SMN1; SMN2SLC22A6BHMT
SCHEMBL11112780 0.81 SLC22A6 (0.47) TDP1FFAR3SMN1; SMN2SLC22A6BHMT
SCHEMBL12258211 0.80 CYP2C19 (0.45) TDP1FFAR3SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458193-B1 Proline compounds as Granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2016-10-04 US disclosed
WO-2016015159-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS, INC. (CA) 2016-02-04 WO disclosed
WO-2016015160-A1 CYCLIC UREA COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS, INC. (CA) 2016-02-04 WO 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