SCHEMBL9533276

SCHEMBL9533276

COC(=O)C1(C)CSc2ccc(OC)cc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 3/20 0.45
RYR2 Q92736 6/20 0.45
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
HTT P42858 3/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 3/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
METAP1 P53582 1/20 0.37
GAA P10253 2/20 0.36

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
SCHEMBL10382676 0.84 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL10382673 0.81 LMNA (0.56) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL345330 0.77 SMN1; SMN2 (0.81) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL27188923 0.77 SMN1; SMN2 (0.64) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL9537213 0.69 RYR2 (0.46) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL9534884 0.68 RYR2 (0.44) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL8118067 0.67 RYR2 (0.56) KDM4EALDH1A1LMNARYR2CA1
SCHEMBL19469587 0.67 SMN1; SMN2 (0.69) SMN1; SMN2LMNA
SCHEMBL5403243 0.67 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL19469584 0.67 SMN1; SMN2 (0.69) SMN1; SMN2LMNA

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
EP-0539372-A1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1993-05-05 EP disclosed
WO-1991011448-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-08 WO disclosed