Valine

Valine

SCHEMBL8979630

CC(C)[C@H](N)C(=O)O.O=C(O)n1cnc2ccccc21

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ APAF1 O14727 1/20 0.50
▸ ASAH1 Q13510 5/20 0.46
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ DNMT3A Q9Y6K1 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ STAT6 P42226 1/20 0.42
▸ SLC7A5 Q01650 1/20 0.42
▸ USP5 P45974 1/20 0.41
▸ EGLN3 Q9H6Z9 1/20 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
SCHEMBL857765 0.83 SMN1; SMN2 (0.61) SMN1; SMN2APAF1ASAH1KMT2AMEN1
Phenazine SCHEMBL28881744 0.75 SLC7A5 (0.58) SMN1; SMN2APAF1KMT2AMEN1NPC1
Carbamic Acid SCHEMBL10888970 0.72 SMN1; SMN2 (0.56) SMN1; SMN2ASAH1KMT2AMEN1DNMT3A
SCHEMBL11882632 0.72 KMT2A (0.57) SMN1; SMN2ASAH1KMT2AMEN1DNMT3A
SCHEMBL828619 0.72 KMT2A (0.57) SMN1; SMN2ASAH1KMT2AMEN1DNMT3A
SCHEMBL3078847 0.72 SMN1; SMN2 (0.59) SMN1; SMN2APAF1ASAH1KMT2AMEN1
Quinoline SCHEMBL4747553 0.72 ALDH1A1 (0.55) SMN1; SMN2KMT2AMEN1NPC1ALDH1A1
SCHEMBL16596879 0.72 SMN1; SMN2 (0.64) SMN1; SMN2APAF1ASAH1KMT2AMEN1
SCHEMBL11443588 0.71 KMT2A (0.60) SMN1; SMN2ASAH1KMT2AMEN1DNMT3A
SCHEMBL250172 0.71 HTT (0.66) SMN1; SMN2ASAH1KMT2AMEN1DNMT3A

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-5521200-A ANTICONVULSANTS AND TREATMENT OF ANXIETY HO WINSTON (US) 1996-05-28 — — US disclosed
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