SCHEMBL29204751

SCHEMBL29204751

O=C(O)CCCOc1ccc(-n2nc3ccccc3n2)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 3/20 0.50
CYSLTR1 Q9Y271 3/20 0.50
FFAR4 Q5NUL3 3/20 0.43
FFAR1 O14842 2/20 0.43
PDE3B Q13370 4/20 0.43
PDE3A Q14432 4/20 0.43
P2RY12 Q9H244 3/20 0.43
PPARA Q07869 3/20 0.43
PDE2A O00408 2/20 0.42
PDK2 Q15119 1/20 0.42
ALB P02768 1/20 0.41
ESR1 P03372 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6474039 0.88 NPC1 (0.45) CYSLTR2CYSLTR1KDM4ENPC1ALDH1A1
SCHEMBL8854056 0.87 NPC1 (0.44) CYSLTR2CYSLTR1KDM4ENPC1ALDH1A1
SCHEMBL9504045 0.86 PTPN7 (0.50) CYSLTR2CYSLTR1FFAR1KDM4ENPC1
SCHEMBL7141357 0.84 GPBAR1 (0.46) CYSLTR2CYSLTR1KDM4ENPC1ALDH1A1
SCHEMBL29463600 0.84 GPBAR1 (0.46) CYSLTR2CYSLTR1KDM4ENPC1ALDH1A1
SCHEMBL508086 0.83 NPC1 (0.41) CYSLTR2CYSLTR1PDK2ESR1KDM4E
SCHEMBL8913712 0.83 NPC1 (0.43) PDE3BPDE3AP2RY12PDE2APDK2
SCHEMBL8997629 0.82 FFAR1 (0.43) FFAR1PDE2ANPC1RAB9A
SCHEMBL21145629 0.82 NPC1 (0.46) CYSLTR2CYSLTR1PDK2KDM4ENPC1
SCHEMBL29510555 0.82 NPC1 (0.46) CYSLTR2CYSLTR1PDK2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986487-A Modified polyglycolic acid raw material composition with improved compressive property, modified polyglycolic acid, preparation method and application thereof 中国石油化工股份有限公司 2024-05-07 CN claimed
CN-117986487-A Modified polyglycolic acid raw material composition with improved compressive property, modified polyglycolic acid, preparation method and application thereof 中国石油化工股份有限公司 2024-05-07 CN disclosed