Valine

Valine

SCHEMBL8520140

CC(C)[C@H](N)C(=O)O.O=c1[nH][nH]c(=O)c2cc3ccccc3cc12

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.46
PTGER3 P43115 3/20 0.40
SLC1A3 P43003 4/20 0.39
SLC1A2 P43004 4/20 0.39
SLC1A1 P43005 4/20 0.39
AKR1B1 P15121 1/20 0.38
ELANE P08246 1/20 0.37
SLC15A1 P46059 1/20 0.36
ROCK2 O75116 2/20 0.36
POLB P06746 1/20 0.36
DAO P14920 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36

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
Benz(B)Anthracene SCHEMBL9710284 0.82 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2SLC1A1SLC15A1
SCHEMBL31572200 0.76 GRIN2D (0.52) POLBDAOKDM4ENPC1USP2
SCHEMBL11200843 0.76 GRIN2D (0.52) POLBDAOKDM4ENPC1USP2
Valine SCHEMBL8606825 0.75 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2SLC1A1SLC15A1
Anthraquinone SCHEMBL3654040 0.73 SLC7A5 (0.60) SLC7A5SLC1A3SLC1A2SLC1A1ELANE
Anthraquinone SCHEMBL27983859 0.73 SLC7A5 (0.60) SLC7A5SLC1A3SLC1A2SLC1A1ELANE
Biphenyl SCHEMBL27824248 0.73 SLC7A5 (0.65) SLC7A5SLC1A3SLC1A2SLC1A1GAA
Biphenyl SCHEMBL2494151 0.73 SLC7A5 (0.65) SLC7A5SLC1A3SLC1A2SLC1A1GAA
Valine SCHEMBL28726 0.72 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2SLC1A1AKR1B1
Valine SCHEMBL11319001 0.72 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2SLC1A1SLC15A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0440787-B1 COMPOUNDS OF 1,4-BIS(AMINO)BENZO(G)PHTHALAZENE CONSEJO SUPERIOR INVESTIGACION (ES) 1999-10-13 EP disclosed
EP-0440787-A1 NEW COMPOUNDS OF 1,4-BIS(AMINO)BENZO(G)PHTHALAZENE CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 1991-08-14 EP disclosed