SCHEMBL29480809

SCHEMBL29480809

CCOCCn1cnc2ccc(C(=O)O)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
NPSR1 Q6W5P4 2/20 0.39
HCAR3 P49019 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 2/20 0.37
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCND2 P30279 1/20 0.35
CCND3 P30281 1/20 0.35
HSD17B10 Q99714 2/20 0.35

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
SCHEMBL30538783 0.87 MEN1 (0.43) ADORA2AADORA2BNPSR1HCAR3KDM4E
SCHEMBL27158470 0.80 ADORA2A (0.39) ADORA2AADORA2BNPSR1HCAR3KDM4E
SCHEMBL27157993 0.77 ADORA2A (0.39) ADORA2AADORA2BNPSR1HCAR3KDM4E
SCHEMBL30538743 0.75 KMT2A (0.42) ADORA2AADORA2BKDM4EHPGDMEN1
SCHEMBL29480784 0.74 APAF1 (0.39) KDM4EHPGDCYP3A4MAPTMEN1
SCHEMBL9862988 0.72 LMNA (0.49) ADORA2AADORA2BKDM4EHPGDCYP1A2
SCHEMBL23530019 0.72 CYP1A2 (0.50) ADORA2AKDM4EHPGDCYP1A2MAPT
SCHEMBL29549645 0.72 CYP1A2 (0.50) ADORA2AKDM4EHPGDCYP1A2MAPT
SCHEMBL30686398 0.72 GLP1R (0.40) KDM4ECYP1A2CYP3A4MAPTMEN1
SCHEMBL27158625 0.70 ADORA2A (0.38) ADORA2AADORA2BKDM4ESMN1; SMN2LMNA

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
EP-4204415-A1 HETEROCYCLIC GLP-1 AGONISTS Gasherbrum Bio, Inc. (US) 2023-07-05 EP disclosed
WO-2022042691-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. (US) 2022-03-03 WO disclosed