SCHEMBL6777548

SCHEMBL6777548

O=COC1(c2ccccc2)CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
HDAC4 P56524 2/20 0.33
DPP4 P27487 1/20 0.33
DRD3 P35462 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7576134 0.80 AKR1C1 (0.41) AKR1C1SMN1; SMN2HDAC4MEN1KMT2A
SCHEMBL6021972 0.80 AKR1C1 (0.41) AKR1C1SMN1; SMN2HDAC4MEN1KMT2A
SCHEMBL28564028 0.76 DRD3 (0.38) DPP4DRD3MEN1KMT2A
SCHEMBL7518558 0.76 GAA (0.34) AKR1C1SMN1; SMN2MEN1KMT2A
SCHEMBL4735252 0.74 DRD3 (0.46) AKR1C1HDAC4DPP4DRD3
SCHEMBL7894906 0.74 AKR1C1 (0.39) AKR1C1SMN1; SMN2HDAC4MEN1POLB
SCHEMBL2861574 0.73 DRD3 (0.45) AKR1C1HDAC4DRD3MEN1KMT2A
SCHEMBL27745169 0.73 DRD3 (0.45) AKR1C1HDAC4DRD3MEN1KMT2A
SCHEMBL5641960 0.71 DRD3 (0.43) AKR1C1HDAC4DPP4DRD3MEN1
SCHEMBL7518367 0.70 KMT2A (0.40) SMN1; SMN2MEN1KMT2A

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
US-6770780-B1 QUATERNIZATION OF T-BUTYL BROMOACETATE WITH TRI(N-BUTYL)PHOSPHINE TO FORM PHOSPHONIUM SALT; REACTING WITH BASE TO FORM PHOSPHORUS YLIDE; FORMING 2,4,6-TRIS(3', 5'-DI-T-BUTYL-4'-HYDROXYBENZYL)METHYL-STYRENE; HYDROLYSIS JSR CORPORATION (JP) 2004-08-03 US disclosed
EP-1231205-A1 VINYLPHENYLPROPIONIC ACID DERIVATIVES, PROCESSES FOR PRODUCTION OF THE DERIVATIVES, POLYMERS THEREOF AND RADIOSENSITIVE RESIN COMPOSITIONS JSR Corporation (JP) 2002-08-14 EP disclosed