SCHEMBL5284522

SCHEMBL5284522

CCCCCc1cc(S(=O)(=O)OO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)ccc1C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
GPR55 Q9Y2T6 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
MCL1 Q07820 1/20 0.31
ALOX5 P09917 1/20 0.31
SFRP1 Q8N474 1/20 0.31
ABCB1 P08183 1/20 0.31
CA2 P00918 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 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
SCHEMBL4453796 0.73 L3MBTL1 (0.31) LMNAL3MBTL1
SCHEMBL10652394 0.68 S1PR3 (0.45) TRPV1ALOX5CA2KDM4EMEN1
SCHEMBL8578052 0.67 S1PR3 (0.47) MCL1ALOX5CA2KDM4EMEN1
SCHEMBL8764128 0.67 S1PR3 (0.47) MCL1ALOX5CA2KDM4EMEN1
SCHEMBL10622447 0.67 LMNA (0.51) ALOX5CA2KDM4EMEN1ALDH1A1
SCHEMBL8367731 0.67 S1PR3 (0.47) MCL1ALOX5CA2KDM4EMEN1
SCHEMBL9195344 0.67 LMNA (0.51) ALOX5CA2KDM4EMEN1ALDH1A1
SCHEMBL3688739 0.67 LMNA (0.51) ALOX5CA2KDM4EMEN1ALDH1A1
SCHEMBL3691152 0.67 LMNA (0.47) ALOX5CA2KDM4EMEN1ALDH1A1
SCHEMBL451722 0.67 S1PR3 (0.47) MCL1ALOX5CA2KDM4EMEN1

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
EP-1638544-B1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS UNIV ABERDEEN (GB) 2007-12-05 EP disclosed
EP-1638544-A2 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS The University Court of The University of Aberdeen (GB) 2006-03-29 EP disclosed
WO-2004098582-A2 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2004-11-18 WO disclosed