SCHEMBL3402637

SCHEMBL3402637

CCCC(C)C(N[C@@H](CCC(N)=O)C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
ALOX15 P16050 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
FOLH1 Q04609 3/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA2 P00918 4/20 0.35
CA1 P00915 3/20 0.35
NOD1 Q9Y239 3/20 0.35
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL7604126 0.79 KMT2A (0.41) KMT2AALOX15BLMPMP22FOLH1
SCHEMBL7762307 0.78 KMT2A (0.44) KMT2AALOX15BLMPMP22FOLH1
SCHEMBL2248015 0.78 KMT2A (0.44) KMT2AALOX15BLMPMP22FOLH1
SCHEMBL1226605 0.78 KMT2A (0.47) KMT2AALOX15BLMPMP22FOLH1
SCHEMBL1226603 0.78 KMT2A (0.47) KMT2AALOX15BLMPMP22FOLH1
SCHEMBL15387335 0.76 KMT2A (0.50) KMT2AALOX15BLMPMP22FOLH1
SCHEMBL1221387 0.76 KMT2A (0.45) KMT2AALOX15BLMPMP22FOLH1
SCHEMBL3334377 0.76 KMT2A (0.45) KMT2AALOX15BLMPMP22FOLH1
SCHEMBL27546760 0.76 KMT2A (0.50) KMT2AALOX15BLMPMP22FOLH1
SCHEMBL1267740 0.76 NOD1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2126053-B1 APOCRINE CELL LINE UNILEVER PLC (GB) 2010-11-17 EP disclosed
US-20100184213-A1 APOCRINE CELL LINE CONOPCO, INC. D/B/A UNILEVER 2010-07-22 US disclosed
EP-2126053-A2 APOCRINE CELL LINE Unilever PLC (GB) 2009-12-02 EP disclosed
WO-2008116713-A2 APOCRINE CELL LINE UNILEVER PLC (GB) 2008-10-02 WO disclosed