Valine

Valine

SCHEMBL7169984

CC(C)[C@H](N)C(=O)O.O=C(O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.53
▸ CTSD P07339 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ SLC7A5 Q01650 1/20 0.44
▸ GLA P06280 2/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CDC25B P30305 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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 SCHEMBL7961940 0.90 CTSD (0.48) TSHRCTSDALDH1A1KDM4EMEN1
SCHEMBL78205 0.82 TSHR (0.67) TSHRCTSDALDH1A1KDM4EMEN1
SCHEMBL29696138 0.82 TSHR (0.67) TSHRCTSDALDH1A1KDM4EMEN1
SCHEMBL30727560 0.82 TSHR (0.67) TSHRCTSDALDH1A1KDM4EMEN1
Acetamide SCHEMBL20185440 0.81 TSHR (0.62) TSHRCTSDALDH1A1KDM4EMEN1
Ammonia Solution, Strong SCHEMBL11058598 0.81 TSHR (0.65) TSHRCTSDALDH1A1KDM4EMEN1
SCHEMBL6391676 0.81 TSHR (0.65) TSHRCTSDALDH1A1KDM4EMEN1
SCHEMBL625577 0.81 TSHR (0.65) TSHRCTSDALDH1A1KDM4EMEN1
SCHEMBL9125306 0.81 TSHR (0.65) TSHRCTSDALDH1A1KDM4EMEN1
SCHEMBL4588668 0.81 TSHR (0.65) TSHRCTSDALDH1A1KDM4EMEN1

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
CN-100354265-C Pharmaceutical compounds XENOVA LTD (GB) 2007-12-12 — — CN disclosed
EP-0934276-B1 ANTHRANILIC ACID DERIVATIVES AS MULTI DRUG RESISTANCE MODULATORS XENOVA LTD (GB) 2003-12-17 — — EP disclosed
US-6218393-B1 IN THERAPY OF MULTIDRUG RESISTANT CANCERS, FOR EXAMPLE TO POTENTIATE CYTOTOXICITY OF CANCER DRUG XENOVA LIMITED (GB) 2001-04-17 — — US disclosed
CN-1241181-A Pharmaceutical compounds XENOVA LTD (GB) 2000-01-12 — — CN disclosed
EP-0934276-A1 ANTHRANILIC ACID DERIVATIVES AS MULTI DRUG RESISTANCE MODULATORS XENOVA LIMITED (GB) 1999-08-11 — — EP disclosed
WO-1998017648-A1 ANTHRANILIC ACID DERIVATIVES AS MULTI DRUG RESISTANCE MODULATORS XENOVA LIMITED (GB) 1998-04-30 — — WO disclosed
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