SCHEMBL8949633

SCHEMBL8949633

COP(=O)(CCCCCc1ccccc1)OC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.50
CETP P11597 4/20 0.49
TSHR P16473 1/20 0.49
S1PR2 O95136 2/20 0.47
S1PR4 O95977 2/20 0.47
S1PR1 P21453 2/20 0.47
S1PR3 Q99500 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
FDPS P14324 2/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL27991959 0.98 TSHR (0.50) SIGMAR1CETPTSHRS1PR2S1PR4
SCHEMBL27991950 0.93 TSHR (0.47) SIGMAR1CETPTSHRS1PR2S1PR4
SCHEMBL7292178 0.85 TSHR (0.50) CETPTSHR
SCHEMBL5831422 0.84 TSHR (0.45) CETPTSHRS1PR2S1PR4S1PR1
SCHEMBL14890455 0.83 CETP (0.50) SIGMAR1CETPTSHR
SCHEMBL7331812 0.81 CETP (0.47) CETPTSHR
SCHEMBL9659049 0.81 KLK8 (0.51) SIGMAR1CETPTSHRS1PR2S1PR4
SCHEMBL11125267 0.78 CETP (0.56) CETP
SCHEMBL5054589 0.77 KCNA3 (0.55) FDPSHDAC1
SCHEMBL3975163 0.76 MAPT (0.51) MAPTRXFP1HDAC1

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
US-5574024-A Methylene phosphonoalkylphosphinates, pharmaceutical compositions, and methods for treating abnormal calcium and phosphate metabolism EBETINO FRANK H (US) 1996-11-12 US disclosed
EP-0298553-B1 METHYLENE PHOSPHONOALKYLPHOSPHINATES, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM Norwich Eaton Pharmaceuticals, Inc. (US) 1992-01-15 EP disclosed
EP-0298553-A1 Methylene phosphonoalkylphosphinates, pharmaceutical compositions, and methods for treating abnormal calcium and phosphate metabolism Norwich Eaton Pharmaceuticals, Inc. (US) 1989-01-11 EP disclosed