2-Pentanol

2-Pentanol

SCHEMBL8003002

CCCC(C)O.O=C(O)CCS.O=C(O)CCS.O=C(O)CCS

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
FFAR3 O14843 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
ACE P12821 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 1/20 0.41
ANPEP P15144 4/20 0.41
ENPEP Q07075 4/20 0.41
FOLH1 Q04609 3/20 0.41
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40

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
Mercaptopropionic Acid SCHEMBL28071539 0.85 HDAC1 (0.44) HDAC1HDAC2FFAR3HDAC3HDAC8
Mercaptopropionic Acid SCHEMBL3094964 0.85 HDAC1 (0.44) HDAC1HDAC2FFAR3HDAC3HDAC8
1,3-Butanediol SCHEMBL15379530 0.83 GABRP (0.45) ACEANPEPENPEPFOLH1GABRP
Mercaptopropionic Acid SCHEMBL11845992 0.83 HDAC1 (0.42) HDAC1HDAC2FFAR3HDAC3HDAC8
Butyric Acid SCHEMBL27950361 0.83 HDAC1 (0.59) HDAC1HDAC2FFAR3HDAC3HDAC8
Mercaptopropionic Acid SCHEMBL28858261 0.82 ACE (0.52) HDAC1HDAC2FFAR3HDAC3HDAC8
Mercaptopropionic Acid SCHEMBL30969476 0.81 HDAC1 (0.44) HDAC1HDAC2FFAR3HDAC3HDAC8
Mercaptopropionic Acid SCHEMBL998280 0.80 TDP1 (0.48) HDAC1HDAC2FFAR3HDAC3HDAC8
Mercaptopropionic Acid SCHEMBL29687079 0.80 TDP1 (0.48) HDAC1HDAC2FFAR3HDAC3HDAC8
Mercaptopropionic Acid SCHEMBL2127412 0.80 TDP1 (0.48) HDAC1HDAC2FFAR3HDAC3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991697-A4 FUNCTIONALIZED POLY(ALKYLENE CARBONATE), AND USE THEREOF PAC POLYMERS INC (US) 2000-10-25 EP disclosed
EP-0991697-A1 FUNCTIONALIZED POLY(ALKYLENE CARBONATE), AND USE THEREOF PAC Polymers Inc. (US) 2000-04-12 EP disclosed
WO-1999000444-A1 FUNCTIONALIZED POLY(ALKYLENE CARBONATE), AND USE THEREOF PAC POLYMERS INC. (US) 1999-01-07 WO disclosed