SCHEMBL25035190

SCHEMBL25035190

COc1ccc(OCCCC(=O)O)cc1N1CCC(=O)NC1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.46
DRD3 P35462 9/20 0.46
DRD4 P21917 8/20 0.46
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
P2RY12 Q9H244 2/20 0.43
DHFR P00374 1/20 0.42
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 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
SCHEMBL30475449 1.00 DRD2 (0.46) DRD2DRD3DRD4PDE3BPDE3A
SCHEMBL25033932 0.92 DRD2 (0.49) DRD2DRD3DRD4PDE3BPDE3A
SCHEMBL31213546 0.88 DDB1 (0.44) DRD2DRD3DRD4DDB1CRBN
SCHEMBL25035194 0.84 ALDH1A1 (0.42) DRD2DRD3DRD4PDE3BPDE3A
SCHEMBL30475454 0.84 ALDH1A1 (0.42) DRD2DRD3DRD4PDE3BPDE3A
SCHEMBL30671540 0.80 DDB1 (0.42) DHFRDDB1CRBN
SCHEMBL26699625 0.80 DDB1 (0.42) DHFRDDB1CRBN
SCHEMBL29386236 0.77 KDM4E (0.50) PDE3BPDE3ADDB1CRBN
SCHEMBL21408886 0.77 KDM4E (0.50) PDE3BPDE3ADDB1CRBN
SCHEMBL24735334 0.77 KMT2A (0.48) DRD2DRD3DRD4PDE3BPDE3A

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
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023018238-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed