SCHEMBL27748833

SCHEMBL27748833

NCc1ccc(C2CCC(C3CCC(C4CC(=O)O4)CC3)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.37
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
SPHK1 Q9NYA1 4/20 0.35
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
LTA4H P09960 1/20 0.32
NOTUM Q6P988 1/20 0.31
AKT1 P31749 1/20 0.30
F2 P00734 1/20 0.30

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
SCHEMBL27748831 1.00 TEAD1 (0.37) TEAD1DDB1CRBNSPHK1PRMT5
SCHEMBL27770197 1.00 TEAD1 (0.37) TEAD1DDB1CRBNSPHK1PRMT5
SCHEMBL27748877 1.00 TEAD1 (0.37) TEAD1DDB1CRBNSPHK1PRMT5
SCHEMBL12371032 0.86 NOTUM (0.38) TEAD1NOTUMAKT1
SCHEMBL12371065 0.84 SPHK1 (0.39) TEAD1DDB1CRBNSPHK1
SCHEMBL12371060 0.82 SPHK1 (0.42) TEAD1SPHK1
SCHEMBL12371054 0.81 SPHK1 (0.44) TEAD1SPHK1
SCHEMBL2273765 0.80 MAP1LC3B (0.39)
SCHEMBL12370943 0.80 MAP1LC3B (0.38) NOTUM
SCHEMBL2271030 0.80 MAP1LC3B (0.39)

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-101490026-B 2-oxetanone derivative and process for production thereof CHISSO CORP 2012-11-21 CN disclosed
CN-101490026-A 2-oxetanone derivative and process for production thereof CHISSO CORP (JP) 2009-07-22 CN disclosed