SCHEMBL13650205

SCHEMBL13650205

CCC(C)C(O)C(O)C(C)n1cnc2c(=O)[nH]cnc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 12/20 0.43
▸ PNP P00491 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALB P02768 1/20 0.37
▸ MAPK1 P28482 1/20 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
SCHEMBL11243638 0.81 HPRT1 (0.49) HPRT1PNPALDH1A1LMNAALB
SCHEMBL21625880 0.80 ADORA2A (0.56) HPRT1PNPLMNA
SCHEMBL21417461 0.80 HPRT1 (0.50) HPRT1PNPALDH1A1LMNA
SCHEMBL21385661 0.78 HPRT1 (0.55) HPRT1PNPALDH1A1LMNAALB
SCHEMBL7812368 0.76 HPRT1 (0.47) HPRT1PNPALDH1A1LMNAALB
SCHEMBL784333 0.76 ADORA2A (0.51) HPRT1PNPALDH1A1LMNA
SCHEMBL11243652 0.76 HPRT1 (0.49) HPRT1PNPALDH1A1LMNAALB
SCHEMBL23619296 0.75 HPRT1 (0.46) HPRT1PNPLMNA
SCHEMBL21127932 0.74 HPRT1 (0.47) HPRT1PNPALDH1A1LMNA
SCHEMBL7396872 0.73 HPRT1 (0.46) HPRT1PNP

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
US-7598246-B2 Bisphosphonate conjugates and methods of making and using the same MBC PHARMA, INC. (US) 2009-10-06 — — US disclosed
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