SCHEMBL9502756

SCHEMBL9502756

Cc1c(CNCCCN2CCN(S(C)(=O)=O)CC2)cccc1OCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
CD274 Q9NZQ7 3/20 0.39
BCHE P06276 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
ACHE P22303 1/20 0.38
EPHX2 P34913 2/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL9502183 0.89 TP53 (0.47) KDM4ECD274BCHECHRM2CHRM4
SCHEMBL9504108 0.86 TP53 (0.44) KDM4ECD274BCHECHRM2CHRM4
SCHEMBL9501482 0.84 POLB (0.39) SLC2A1KDM4EBCHECHRM2CHRM4
SCHEMBL9501109 0.84 TSHR (0.45) KDM4EHTTCD274BCHECHRM2
SCHEMBL9502824 0.84 BCHE (0.41) ALOX15CD274BCHECHRM2CHRM4
SCHEMBL10518196 0.80 BCHE (0.38) ALOX15CD274BCHECHRM2CHRM4
SCHEMBL9501464 0.78 BCHE (0.38) KDM4ECD274BCHEACHEMEN1
SCHEMBL27728143 0.65 ALDH1A1 (0.53) BCHECHRM2CHRM4CHRM5CHRM1
SCHEMBL21730497 0.64 SMN1; SMN2 (0.41) KDM4ESMN1; SMN2CYP2D6MEN1KMT2A
SCHEMBL9504044 0.64 POLB (0.38) KDM4EHTTSMN1; SMN2CYP2D6MEN1

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-0330910-B1 PROPANE DERIVATIVES KOWA COMPANY, LTD. (JP) 1993-05-12 EP claimed
EP-0330910-A1 Propane derivatives KOWA COMPANY, LTD. (JP) 1989-09-06 EP claimed