3-Hydroxybutyric Acid, (+/-)-

3-Hydroxybutyric Acid, (+/-)-

SCHEMBL8458332

CC(O)CC(=O)O.COC(=O)CCCCC(=O)Nc1ccc2[nH]cc(C3CCN(CC(C)C)CC3)c2n1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 20/20 0.58
HTR1B P28222 9/20 0.57
HTR1D P28221 9/20 0.57
HTR1A P08908 8/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR1E P28566 1/20 0.53
HTR6 P50406 1/20 0.53
HTR4 Q13639 1/20 0.53

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
3-Hydroxybutyric Acid, (+/-)- SCHEMBL7013309 0.91 HTR1F (0.60) HTR1FHTR1BHTR1DHTR1AHTR2A
SCHEMBL7006117 0.80 HTR1F (0.63) HTR1FHTR1BHTR1DHTR1AHTR2A
SCHEMBL7011191 0.78 HTR1F (0.80) HTR1FHTR1BHTR1DHTR1AHTR2A
Lactic Acid SCHEMBL7007717 0.77 HTR1F (0.61) HTR1FHTR1BHTR1DHTR1AHTR2A
Lactic Acid SCHEMBL30908955 0.77 HTR1F (0.61) HTR1FHTR1BHTR1DHTR1AHTR2A
SCHEMBL7011890 0.76 HTR1F (0.58) HTR1FHTR1BHTR1DHTR1AHTR2A
SCHEMBL30909281 0.76 HTR1F (0.58) HTR1FHTR1BHTR1DHTR1AHTR2A
SCHEMBL7006579 0.74 HTR1F (1.00) HTR1FHTR1BHTR1DHTR1AHTR2A
SCHEMBL7005319 0.74 HTR1F (0.79) HTR1FHTR1BHTR1DHTR1AHTR2A
SCHEMBL7005835 0.74 HTR1F (0.82) HTR1FHTR1BHTR1DHTR1AHTR2A

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-5998622-A ANALGESICS; ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed