SCHEMBL29317763

SCHEMBL29317763

CC(C)OC(C)(C)C(=O)NC1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.47
POLB P06746 1/20 0.43
SSTR1 P30872 1/20 0.42
SSTR4 P31391 1/20 0.42
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR4 Q13639 4/20 0.36
EPHX2 P34913 1/20 0.36
PKM P14618 1/20 0.35
SMYD3 Q9H7B4 2/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 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
SCHEMBL19717405 0.79 EPHX1 (0.48) EPHX1POLBSSTR1SSTR4PDK1
SCHEMBL6697632 0.77 EPHX1 (0.59) EPHX1POLBSSTR1SSTR4PDK1
SCHEMBL15447615 0.75 EPHX1 (0.57) EPHX1POLBSSTR1SSTR4PDK1
SCHEMBL9330440 0.75 EPHX1 (0.44) EPHX1POLBSSTR1SSTR4PDK1
SCHEMBL12308373 0.74 SSTR4 (0.48) EPHX1POLBSSTR1SSTR4PDK1
SCHEMBL3414046 0.73 EPHX1 (0.53) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL16580725 0.72 EPHX1 (0.48) EPHX1POLBSSTR1SSTR4GNAI3
SCHEMBL12334726 0.71 EPHX1 (0.52) EPHX1POLBSSTR1SSTR4PDK1
SCHEMBL19717270 0.70 EPHX1 (0.50) EPHX1POLBSSTR1SSTR4PDK1
SCHEMBL12308683 0.70 EPHX1 (0.46) EPHX1POLBSSTR1SSTR4PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145931-A1 SMALL MOLECULE INHIBITOR FOR β-CATENIN/BCL9 PROTEIN-PROTEIN INTERACTION AND USE THEREOF 上海医药工业研究院有限公司 2024-07-11 WO disclosed