SCHEMBL9486971

SCHEMBL9486971

CCCC1CCC(CCc2ccc(OC(=O)C3CCC(C4CCC(CCC)CC4)CC3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.54
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ELANE P08246 1/20 0.42
THRB P10828 3/20 0.41
THRA P10827 1/20 0.41
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL14525936 0.96 F2 (0.51) F2KMT2AHTTSMN1; SMN2TDP1
SCHEMBL9487767 0.95 F2 (0.50) F2KMT2AHTTSMN1; SMN2TDP1
SCHEMBL9485858 0.95 F2 (0.50) F2KMT2AHTTSMN1; SMN2TDP1
SCHEMBL9302657 0.95 F2 (0.54) F2KMT2AHTTSMN1; SMN2TDP1
SCHEMBL9302661 0.95 F2 (0.54) F2KMT2AHTTSMN1; SMN2TDP1
SCHEMBL8211820 0.95 F2 (0.54) F2KMT2AHTTSMN1; SMN2TDP1
SCHEMBL9487871 0.94 F2 (0.49) F2KMT2AHTTSMN1; SMN2TDP1
SCHEMBL9486380 0.94 F2 (0.49) F2KMT2AHTTSMN1; SMN2TDP1
SCHEMBL9488379 0.94 F2 (0.49) F2KMT2AHTTSMN1; SMN2TDP1
SCHEMBL9486941 0.94 F2 (0.49) F2KMT2AHTTSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2279649-A None JP disclosed
US-5190692-A FOUR RING ESTERS AND ETHERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-03-02 US disclosed
JP-H02279649-A FOUR RINGS ESTER COMPOUND AND ETHER COMPOUND MERCK PATENT GMBH 1990-11-15 JP disclosed