1,6-Hexanediol

1,6-Hexanediol

SCHEMBL8150467

O=C(O)C=CCO.OCCCCCCO

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
LMNA P02545 3/20 0.44
GABRR1 P24046 2/20 0.44
GABRR2 P28476 2/20 0.44
BLM P54132 2/20 0.44
GPR84 Q9NQS5 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
GABRR3 A8MPY1 1/20 0.44
APEX1 P27695 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
CAMK2A Q9UQM7 1/20 0.36
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
TBXAS1 P24557 3/20 0.33
KDM4E B2RXH2 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
SCHEMBL60643 0.87
SCHEMBL60642 0.87
SCHEMBL6026178 0.87
Fumaric Acid SCHEMBL28921786 0.84 TSHR (0.56) TSHRLMNAGABRR1GABRR2BLM
Fumaric Acid SCHEMBL128639 0.84 TSHR (0.56) TSHRLMNAGABRR1GABRR2BLM
Maleic Acid SCHEMBL29100284 0.84 TSHR (0.56) TSHRLMNAGABRR1GABRR2BLM
Maleic Acid SCHEMBL29100315 0.84 TSHR (0.56) TSHRLMNAGABRR1GABRR2BLM
Fumaric Acid SCHEMBL28614026 0.84 TSHR (0.56) TSHRLMNAGABRR1GABRR2BLM
Maleic Acid SCHEMBL10940457 0.84 TSHR (0.56) TSHRLMNAGABRR1GABRR2BLM
Maleic Acid SCHEMBL29100274 0.84 TSHR (0.56) TSHRLMNAGABRR1GABRR2BLM

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
JP-2000204063-A (METH)ACRYLATE ESTER AND RESIN COMPOSITION USING THE SAME NIPPON KAYAKU CO LTD 2000-07-25 JP disclosed