Sugi Predict

Sugi Predict / Compounds / 1,5-Pentanediol

1,5-Pentanediol

1,5-Pentanediol

SCHEMBL8912965

NCCOS(=O)(=O)OCCCCO.O=S(=O)(O)OCCCCO.O=S(=O)(O)OS(=O)(=O)OCCCOS(=O)(=O)OS(=O)(=O)OS(=O)(=O)OS(=O)(=O)O.OCCCCCO

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 2/20 0.33
▸ FNTB P49356 2/20 0.33
▸ CA1 P00915 6/20 0.31
▸ CA2 P00918 6/20 0.31
▸ CA9 Q16790 6/20 0.31
▸ CA12 O43570 2/20 0.31
▸ CA3 P07451 2/20 0.31
▸ CA4 P22748 2/20 0.31
▸ CA6 P23280 2/20 0.31
▸ CA5A P35218 2/20 0.31
▸ CA7 P43166 2/20 0.31
▸ CA14 Q9ULX7 2/20 0.31
▸ CA5B Q9Y2D0 2/20 0.31

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
SCHEMBL923629 0.83 CA1 (0.38) FNTAFNTBCA1CA2CA9
SCHEMBL924159 0.81 CA1 (0.36) FNTAFNTBCA1CA2CA9
SCHEMBL27632893 0.78 LMNA (0.35) —
SCHEMBL920407 0.76 CA1 (0.32) FNTAFNTBCA1CA2CA9
SCHEMBL20275856 0.76 FNTA (0.47) FNTAFNTBCA1CA2CA9
1,4-Butanediol SCHEMBL16468151 0.76 FNTA (0.47) FNTAFNTBCA1CA2CA9
SCHEMBL11587906 0.76 FNTA (0.47) FNTAFNTBCA1CA2CA9
SCHEMBL211160 0.76 FNTA (0.47) FNTAFNTBCA1CA2CA9
SCHEMBL6049745 0.76 FNTA (0.47) FNTAFNTBCA1CA2CA9
SCHEMBL11399677 0.76 FNTA (0.47) FNTAFNTBCA1CA2CA9

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-5643562-A ANTIDEPOSIT AGENTS FOR PROTEINS FOR MEDICAL DIAGNOSIS OF DISEASES QUEEN'S UNIVERSITY OF KINGSTON (CA) 1997-07-01 — — US claimed