SCHEMBL8586241

SCHEMBL8586241

CC(C)(C)[Si](C)(C)OCCSc1ccc(SSc2ccc(SCCO[Si](C)(C)C(C)(C)C)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.36
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
CA2 P00918 1/20 0.31
MAPK1 P28482 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
SCHEMBL31219679 0.86 MEN1 (0.36) DUTNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL5199582 0.86 MAOA (0.39) DUTNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL8589345 0.82 DUT (0.33) DUT
SCHEMBL25015309 0.82 DUT (0.33) DUT
SCHEMBL25015315 0.80 DUT (0.32) DUT
SCHEMBL2414603 0.77 DUT (0.39) DUTALDH1A1L3MBTL1KDM4E
SCHEMBL8994328 0.77 MMP2 (0.44) DUTHPGDCA2
SCHEMBL1055133 0.76 MIF (0.33) DUT
SCHEMBL12735701 0.74 LMNA (0.42) DUTALDH1A1KDM4ECA2
SCHEMBL28999268 0.73 RAB9A (0.36) DUTNPC1RAB9AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594857-B1 METHANEDIPHOSPHONIC ACID DERIVATIVE, PRODUCTION THEREOF AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 1998-04-29 EP disclosed
US-5683992-A TREATMENT OF RHEUMATISM, BONE DISORDERS, ANTIINFLAMMATORY, SUPPRESSION OF INTERLEUKIN-1, ANTIOXIDANT, TREATMENT OF AUTOIMMUNE DISEASES TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
US-5527940-A SUPPRESSES INTERLEUKIN-1 AND BONE DESTRUCTION DURING OSTEOPOROSIS; ANTIINFLAMMATORY AGENTS TORAY INDUSTRIES, INC. (JP) 1996-06-18 US disclosed
EP-0594857-A1 METHANEDIPHOSPHONIC ACID DERIVATIVE, PRODUCTION THEREOF AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-05-04 EP disclosed