Sugi Predict

Sugi Predict / Compounds / Valine

Valine

Valine

SCHEMBL8782147

CC(C)[C@H](N)C(=O)O.O=C(O)Nc1ccccc1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.54
▸ MAPT P10636 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ HPGD P15428 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ NAPRT Q6XQN6 1/20 0.47
▸ GFER P55789 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ EPHX1 P07099 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ CDK9 P50750 1/20 0.45

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 SCHEMBL7706957 0.84 SLC7A5 (0.56) SLC7A5MAPTMEN1KMT2AALDH1A1
Valine SCHEMBL9457674 0.82 SLC7A5 (0.54) SLC7A5MAPTMEN1KMT2AALDH1A1
SCHEMBL24832296 0.81 TAAR1 (0.59) MAPTMEN1KMT2AALDH1A1RXFP1
SCHEMBL835887 0.81 TAAR1 (0.59) MAPTMEN1KMT2AALDH1A1RXFP1
SCHEMBL836046 0.81 TAAR1 (0.59) MAPTMEN1KMT2AALDH1A1RXFP1
Lactic Acid SCHEMBL8622247 0.81 MAPT (0.56) MAPTMEN1KMT2AALDH1A1RXFP1
L-Lactic Acid SCHEMBL7787988 0.81 MAPT (0.56) MAPTMEN1KMT2AALDH1A1RXFP1
Valine SCHEMBL3709487 0.81 SLC7A5 (0.62) SLC7A5MEN1KMT2ALMNATSHR
Valine SCHEMBL11199997 0.81 SLC7A5 (0.52) SLC7A5MAPTMEN1KMT2AALDH1A1
Isopropyl Alcohol SCHEMBL11779348 0.81 HSD17B10 (0.58) MAPTMEN1KMT2AALDH1A1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0668858-B1 SULPHONYL UREA COMPOUNDS WITH A HERBICIDAL ACTION, METHOD OF PREPARING THEM AND THEIR USE BASF AG (DE) 1997-01-08 — — EP claimed
EP-0476403-B1 Herbicidal(((1,3,5-triazine-2-yl)aminocarbonyl)aminosulfonyl)benzoeacidesters, method for their preparation and their use BASF AG (DE) 1996-02-28 — — EP claimed
EP-0668858-A1 SULPHONYL UREA COMPOUNDS WITH A HERBICIDAL ACTION, METHOD OF PREPARING THEM AND THEIR USE. BASF AG (DE) 1995-08-30 — — EP claimed
WO-1994011358-A1 SULPHONYL UREA COMPOUNDS WITH A HERBICIDAL ACTION, METHOD OF PREPARING THEM AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1994-05-26 — — WO claimed
EP-0476403-A1 Herbicidal(((1,3,5-triazine-2-yl)aminocarbonyl)aminosulfonyl)benzoeacidesters, method for their preparation and their use BASF Aktiengesellschaft (DE) 1992-03-25 — — EP claimed
EP-0668858-B1 SULPHONYL UREA COMPOUNDS WITH A HERBICIDAL ACTION, METHOD OF PREPARING THEM AND THEIR USE BASF AG (DE) 1997-01-08 — — EP disclosed
EP-0476403-B1 Herbicidal(((1,3,5-triazine-2-yl)aminocarbonyl)aminosulfonyl)benzoeacidesters, method for their preparation and their use BASF AG (DE) 1996-02-28 — — EP disclosed
EP-0668858-A1 SULPHONYL UREA COMPOUNDS WITH A HERBICIDAL ACTION, METHOD OF PREPARING THEM AND THEIR USE. BASF AG (DE) 1995-08-30 — — EP disclosed
WO-1994011358-A1 SULPHONYL UREA COMPOUNDS WITH A HERBICIDAL ACTION, METHOD OF PREPARING THEM AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1994-05-26 — — WO disclosed
EP-0476403-A1 Herbicidal(((1,3,5-triazine-2-yl)aminocarbonyl)aminosulfonyl)benzoeacidesters, method for their preparation and their use BASF Aktiengesellschaft (DE) 1992-03-25 — — EP disclosed