Valine

Valine

SCHEMBL7706957

CC(C)[C@H](N)C(=O)O.NNc1ccccc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.56
LMNA P02545 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
IDO1 P14902 1/20 0.52
CYP2C19 P33261 1/20 0.52
PTGS2 P35354 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GAA P10253 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC1A2 P43004 4/20 0.42
TAAR1 Q96RJ0 1/20 0.41

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
Valine SCHEMBL9457674 0.84 SLC7A5 (0.54) SLC7A5LMNAMAPTMEN1ALDH1A1
Valine SCHEMBL8782147 0.84 SLC7A5 (0.54) SLC7A5LMNAMAPTMEN1ALDH1A1
Valine SCHEMBL11199997 0.82 SLC7A5 (0.52) SLC7A5LMNACYP3A4TDP1MAPT
Valine SCHEMBL8710357 0.81 SLC7A5 (0.50) SLC7A5LMNACYP1A2CYP2D6CYP2C9
Biphenyl SCHEMBL2494151 0.80 SLC7A5 (0.65) SLC7A5CYP1A2CYP2C9CYP2C19PTGS2
Biphenyl SCHEMBL27824248 0.80 SLC7A5 (0.65) SLC7A5CYP1A2CYP2C9CYP2C19PTGS2
Valine SCHEMBL8009440 0.80 SLC7A5 (0.48) SLC7A5LMNAMAPTMEN1ALDH1A1
Valine SCHEMBL8009436 0.80 SLC7A5 (0.48) SLC7A5LMNAMAPTMEN1ALDH1A1
Valine SCHEMBL2992340 0.80 SLC7A5 (0.48) SLC7A5LMNACYP1A2CYP3A4CYP2C9
Valine SCHEMBL4582565 0.79 SLC7A5 (0.88) SLC7A5LMNACYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372774-B1 THESE COMPOUNDS POSSESS ARTHROPODICIDAL, PLANT NEMATOCIDAL, ANTHELMINTIC AND ANTI-PROTOZOAL PROPERTIES RHONE-POULENC AGRICULTURE LTD. (GB) 2002-04-16 US disclosed
US-5916618-A PESTICIDE FOR MEDICATED FEEDSTUFF, DIETARY CONCENTRATE OR SUPPLEMENT RHONE-POULENC AGRICULTURE LTD. (GB) 1999-06-29 US disclosed
US-5714191-A PESTICIDES USED IN MEDICATED FEEDSTUFF, MINERAL SALT LICK OR EDIBLE BAIT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-02-03 US disclosed
US-5608077-A INSECTICIDES, NEMATOCIDES, ANTHELMINTICS, ANTIPROTOZOA AGENTS RHONE-POULENC AGRICULTURE LTD. (GB) 1997-03-04 US disclosed
US-5547974-A INSECTICIDES, NEMATOCIDES, ANTHELMINTICS RHONE-POULENC AGRICULTURE LTD. (GB) 1996-08-20 US disclosed
US-5232940-A Controlling insects, plant nematodes, helminths, protozoa BASF AGRO B.V., ARNHEM (NL), WADENSWIL-BRANCH (CH) 1993-08-03 US disclosed