SCHEMBL7762307

SCHEMBL7762307

CCC(C)NC(CCC(N)=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
ALOX15 P16050 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
FOLH1 Q04609 4/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA2 P00918 4/20 0.39
CA1 P00915 3/20 0.39
NAALAD2 Q9Y3Q0 2/20 0.37
RIMKLA Q8IXN7 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
TGFBR1 P36897 1/20 0.36
GGH Q92820 1/20 0.36
NOD1 Q9Y239 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
SCHEMBL2248015 1.00 KMT2A (0.44) KMT2AALOX15BLMPMP22FOLH1
SCHEMBL27341927 0.87 FOLH1 (0.52) FOLH1NAALAD2RIMKLAGGH
SCHEMBL1267740 0.86 NOD1 (0.42) KMT2AALOX15BLMPMP22FOLH1
SCHEMBL1226603 0.85 KMT2A (0.47) KMT2AALOX15BLMPMP22FOLH1
SCHEMBL1226605 0.85 KMT2A (0.47) KMT2AALOX15BLMPMP22FOLH1
SCHEMBL4795978 0.84 NOD1 (0.47) KMT2ANOD1
SCHEMBL22201756 0.84 DPP4 (0.36) KMT2AALOX15BLMPMP22FOLH1
SCHEMBL8633804 0.84 KMT2A (0.47) KMT2AALOX15BLMPMP22FOLH1
SCHEMBL5158281 0.84 KMT2A (0.42) KMT2AALOX15BLMPMP22FOLH1
SCHEMBL3364509 0.84 KMT2A (0.42) KMT2AALOX15BLMPMP22FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090106-A2 ALKYLAMINES AND THEIR PRECURSORS AS SPECIFIC MODULATORS OF HUMAN GAMMA-DELTA T CELL FUNCTION THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2001-04-11 EP claimed
WO-2000000158-A9 ALKYLAMINES AND THEIR PRECURSORS AS SPECIFIC MODULATORS OF HUMAN GAMMA-DELTA T CELL FUNCTION BRIGHAM & WOMENS HOSPITAL (US) 2000-06-22 WO claimed
WO-2000000158-A2 ALKYLAMINES AND THEIR PRECURSORS AS SPECIFIC MODULATORS OF HUMAN GAMMA-DELTA T CELL FUNCTION THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2000-01-06 WO claimed