SCHEMBL3775302

SCHEMBL3775302

CCCC(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.40
SMPD1 P17405 3/20 0.40
METAP1 P53582 2/20 0.38
BTN3A1 O00481 3/20 0.36
PTPN1 P18031 1/20 0.36
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33

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
SCHEMBL7840417 0.85 SMPD1 (0.56) FDPSSMPD1PTPN1LPAR1LPAR3
SCHEMBL4059932 0.85 SMPD1 (0.56) FDPSSMPD1PTPN1LPAR1LPAR3
SCHEMBL2676632 0.83 SMPD1 (0.50) FDPSSMPD1METAP1PTPN1LPAR1
SCHEMBL29790860 0.82 FDPS (0.41) FDPSSMPD1METAP1BTN3A1PTPN1
SCHEMBL5479750 0.80 BTN3A1 (0.36) FDPSSMPD1BTN3A1BLMTDP1
SCHEMBL27481354 0.80 GABBR2 (0.36) FDPSBTN3A1BLMTDP1
SCHEMBL29790857 0.80 METAP1 (0.42) FDPSSMPD1METAP1BTN3A1PTPN1
SCHEMBL1203388 0.78 SMPD1 (0.39) FDPSSMPD1METAP1BTN3A1PTPN1
SCHEMBL27594540 0.78 FDPS (0.39) FDPSSMPD1METAP1BTN3A1PTPN1
SCHEMBL27508185 0.77 BLM (0.34) FDPSSMPD1BLMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010086617-A2 TREATMENT THE SECRETARY OF STATE FOR DEFENCE (GB) 2010-08-05 WO disclosed