1,6-Hexanediol

1,6-Hexanediol

SCHEMBL7211787

CC(O)CCCO.OCCCCCCO

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TSHR P16473 4/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
TRPA1 O75762 1/20 0.36
MAPT P10636 1/20 0.34
PSMD14 O00487 2/20 0.32
PLA2G1B P04054 2/20 0.32
MMP2 P08253 2/20 0.32
ATG4B Q9Y4P1 2/20 0.32
PTPN1 P18031 1/20 0.32
HSP90AA1 P07900 1/20 0.32
RAD52 P43351 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
FFAR1 O14842 1/20 0.32

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
1,5-Pentanediol SCHEMBL6905317 1.00 ALDH1A1 (0.43) ALDH1A1TSHRLMNAHSD17B10MEN1
1,4-Butanediol SCHEMBL8983355 0.97 TDP1 (0.44) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL8077217 0.94 LMNA (0.43) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL424124 0.94
SCHEMBL5398466 0.94 LMNA (0.43) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL554360 0.94 LMNA (0.43) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL19411359 0.94 LMNA (0.43) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL13202549 0.94 LMNA (0.43) ALDH1A1TSHRLMNAHSD17B10MEN1
1,6-Hexanediol SCHEMBL15347446 0.94 LMNA (0.43) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL830579 0.94 LMNA (0.43) ALDH1A1TSHRLMNAHSD17B10MEN1

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-20030060537-A1 Ink jet ink composition comprising inter-color bleed additive and printing processes using the same XEROX CORPORATION 2003-03-27 US disclosed