Valeric Acid

Valeric Acid

SCHEMBL27708660

CCCCC(=O)O.OCC(Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 9/20 0.64
▸ SRC P12931 2/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ YES1 P07947 1/20 0.52
▸ HCK P08631 1/20 0.52
▸ PAK3 O75914 2/20 0.49
▸ PAK1 Q13153 2/20 0.49
▸ PAK2 Q13177 2/20 0.49
▸ IGF1R P08069 2/20 0.49
▸ NEK1 Q96PY6 1/20 0.48

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
SCHEMBL4641518 0.83 NTRK1 (0.67) NTRK1IGF1RNEK1
SCHEMBL27708659 0.83 NTRK1 (0.56) NTRK1IGF1R
SCHEMBL22535735 0.78 NTRK1 (0.72) NTRK1IGF1R
SCHEMBL4151801 0.77 NTRK1 (0.59) NTRK1IGF1R
SCHEMBL4065423 0.76 NTRK1 (0.80) NTRK1IGF1R
SCHEMBL23216996 0.76 NTRK1 (0.83) NTRK1IGF1R
SCHEMBL22535428 0.76 NTRK1 (0.64) NTRK1IGF1R
SCHEMBL3342109 0.76 NTRK1 (0.83) NTRK1IGF1R
SCHEMBL22535313 0.75 NTRK1 (0.63) NTRK1IGF1R
SCHEMBL22535599 0.75 NTRK1 (0.66) NTRK1IGF1R

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-101208093-A Use of pyrazolyl-pyrimidine derivatives in the treatment of pain ASTRAZENECA AB CLAESSON ALF (SE) 2008-06-25 — — CN disclosed
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