SCHEMBL1285642

SCHEMBL1285642

NC(O)(CCCCP(=O)(O)O)P(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.46
GRM4 Q14833 1/20 0.45
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
FDPS P14324 7/20 0.42
LPAR3 Q9UBY5 3/20 0.41
LPAR2 Q9HBW0 1/20 0.41
SMPD1 P17405 2/20 0.39
PDE3A Q14432 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
GGPS1 O95749 1/20 0.38

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
SCHEMBL1286214 0.98 LPAR3 (0.45) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL1285912 0.93 TYMS (0.48) TYMSGRM4LMNACYP3A4NFKB1
Water SCHEMBL9900532 0.91 TYMS (0.46) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL1285893 0.84 GRM4 (0.56) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL4413844 0.77 TYMS (0.44) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL2319390 0.75 GGPS1 (0.58) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL4413277 0.75 TYMS (0.52) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL19212014 0.73 GGPS1 (0.56) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL20699854 0.73 LPAR3 (0.50) TYMSGRM4LMNACYP3A4NFKB1
SCHEMBL1260815 0.73 LPAR3 (0.50) TYMSGRM4LMNACYP3A4NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120089118-A1 DELIVERY OF BISPHOSPHONATES BY MICROINJECTION SYSTEMS A Nevada Corporation 2012-04-12 US disclosed
WO-2012048285-A1 DELIVERY OF BISPHOSPHONATES BY MICROINJECTION SYSTEMS LANCO BIOSCIENCES, INC. (US) 2012-04-12 WO disclosed