SCHEMBL5327876

SCHEMBL5327876

CC(C)OP(=O)(OC(C)C)C(CCCC(=O)O)P(=O)(OC(C)C)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.42
ALDH1A1 P00352 2/20 0.39
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38
GABRQ Q9UN88 2/20 0.38
CYP1A2 P05177 1/20 0.38
ENPEP Q07075 2/20 0.37

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
SCHEMBL8385734 0.94 ALDH1A1 (0.44) ALDH1A1ENPEPGSTK1LMNASLC22A6
SCHEMBL5324634 0.90 GABRP (0.43) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL9537924 0.79 HMGCR (0.42) CTSAACHEHMGCR
SCHEMBL8383711 0.78 HMGCR (0.39) CTSAACHEHMGCR
SCHEMBL8383658 0.76 ALDH1A1 (0.47) ALDH1A1LMNASLC22A6TSHRNFKB1
SCHEMBL8383303 0.75 HMGCR (0.40) CTSAACHEHMGCRPOLB
SCHEMBL8381798 0.74 FDPS (0.39) CTSAACHEHMGCR
SCHEMBL1846885 0.74 FFAR4 (0.44) ALDH1A1LMNASLC22A6TSHR
SCHEMBL13658757 0.74 LMNA (0.53) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL18985287 0.74 GABRP (0.37) FOLH1ALDH1A1GABRPGABRDGABRA1

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
WO-2007138381-A2 PHOSPHONATED OXAZOLIDINONES AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS INC. (CA) 2007-12-06 WO disclosed
US-5962438-A OSTEOPOROSIS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-10-05 US disclosed
EP-0827951-A1 NOVEL BONE-SEEKING ESTROGEN DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-03-11 EP disclosed