Valine

Valine

SCHEMBL7594946

CC(C)[C@H](N)C(=O)O.O=Cc1cccc(-c2cc[nH]n2)c1

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 1/20 0.39
▸ TRIM24 O15164 1/20 0.39
▸ TRIM33 Q9UPN9 1/20 0.39
▸ PTGS2 P35354 1/20 0.35
▸ SLC7A5 Q01650 1/20 0.35
▸ TARS1 P26639 3/20 0.35
▸ UNG P13051 1/20 0.35
▸ AXL P30530 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ NAT1 P18440 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.32
▸ EGFR P00533 1/20 0.31

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
SCHEMBL29935659 0.82 CDK8 (0.49) CDK8TRIM24TRIM33UNGAXL
SCHEMBL4081950 0.82 CDK8 (0.49) CDK8TRIM24TRIM33UNGAXL
3-Hydroxybenzaldehyde SCHEMBL3218537 0.77 KDM4E (0.48) TRIM24TRIM33SLC7A5UNG
Valine SCHEMBL8645296 0.76 SLC7A5 (0.37) SLC7A5
Valine SCHEMBL1357700 0.73 SLC7A5 (0.56) SLC7A5UNG
SCHEMBL21946228 0.72 GRIA2 (0.59) SLC7A5
Hydrochloric Acid SCHEMBL20502561 0.71 GRIA2 (0.58) SLC7A5
Hydrochloric Acid SCHEMBL20502559 0.71 GRIA2 (0.58) SLC7A5
Hydrochloric Acid SCHEMBL21879188 0.71 GRIA2 (0.58) SLC7A5
Hydrochloric Acid SCHEMBL21879189 0.71 GRIA2 (0.58) SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915853-B1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AG (DE) 2002-11-06 — — EP disclosed
US-6197973-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 — — US disclosed
EP-0915853-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-05-19 — — EP disclosed
WO-1998005649-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-02-12 — — WO disclosed
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