Valeric Acid

Valeric Acid

SCHEMBL28224201

CC1(C)[C@@H]2CC[C@]1(C)C(OC(=O)CSC#N)C2.CCCCC(=O)O

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.81
ALDH1A1 P00352 2/20 0.81
HTT P42858 1/20 0.45
CYP19A1 P11511 1/20 0.44

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
Isobornyl Valerate SCHEMBL28124650 0.94 ALDH1A1 (0.84) LMNAALDH1A1HTTCYP19A1
SCHEMBL5933205 0.90 ALDH1A1 (1.00) LMNAALDH1A1CYP19A1
SCHEMBL27474596 0.90 ALDH1A1 (1.00) LMNAALDH1A1CYP19A1
SCHEMBL790530 0.90 ALDH1A1 (1.00) LMNAALDH1A1CYP19A1
SCHEMBL28008917 0.90 ALDH1A1 (0.71) LMNAALDH1A1CYP19A1
SCHEMBL28189135 0.89 ALDH1A1 (0.97) LMNAALDH1A1CYP19A1
SCHEMBL27701178 0.88 ALDH1A1 (0.75) LMNAALDH1A1CYP19A1
SCHEMBL27962131 0.87 ALDH1A1 (0.80) LMNAALDH1A1CYP19A1
SCHEMBL9575827 0.87 LMNA (0.76) LMNAALDH1A1HTTCYP19A1
SCHEMBL27525621 0.86 ALDH1A1 (0.78) LMNAALDH1A1CYP19A1

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
CN-104381255-B Reagent for inducing frankliniella occidentalis 浙江省农业科学院 2018-06-05 CN claimed