Valine

Valine

SCHEMBL8913982

CC(C)[C@H](N)C(=O)O.NC(=O)N1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
CYP2C19 P33261 3/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SLC15A1 P46059 1/20 0.49
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
DPP4 P27487 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
CYP2D6 P10635 1/20 0.44
PLAU P00749 1/20 0.43

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
Alanine SCHEMBL8913599 0.91 SMN1; SMN2 (0.59) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL522557 0.86 MEN1 (0.56) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL522558 0.86 MEN1 (0.56) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
Phenylalanine SCHEMBL8912761 0.84 SMN1; SMN2 (0.56) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL16466450 0.81 MEN1 (0.58) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL20612426 0.81 MEN1 (0.58) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL16465286 0.81 MEN1 (0.58) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL3970912 0.80 MEN1 (0.76) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL4814264 0.80 MEN1 (0.76) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL7393652 0.80 MEN1 (0.76) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1

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
US-5663174-A ANTIINFLAMMATORY AGENTS, INHIBITOR OF KINASES, ANTIARTHRITIC AGENTS PHARNO-WEDROPHARM GMBH (DE) 1997-09-02 US disclosed
EP-0602028-B1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARNO WEDROPHARM GMBH (DE) 1996-01-17 EP disclosed
EP-0602028-A1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. PHARNO WEDROPHARM GMBH (DE) 1994-06-22 EP disclosed
WO-1993005014-A1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARNO-WEDROPHARM GMBH (DE) 1993-03-18 WO disclosed