SCHEMBL2294523

SCHEMBL2294523

CCN(CC)C(=O)CCCC(N)=O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.81
ALDH1A1 P00352 4/20 0.41
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
NPC1 O15118 2/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SOAT1 P35610 2/20 0.38
MEN1 O00255 1/20 0.38
FAAH O00519 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.37

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
SCHEMBL4147411 0.95 LMNA (0.73) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL28013124 0.93 LMNA (0.70) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL2524087 0.88 LMNA (0.61) LMNAALDH1A1MMP1MMP2MMP3
Hexadecanoic Acid Diethylamide SCHEMBL28057571 0.87 LMNA (0.61) LMNAALDH1A1TSHRSOAT1MEN1
SCHEMBL3306771 0.85 LMNA (0.89) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL11495132 0.82 FAAH (0.65) LMNAMMP2SOAT1MEN1FAAH
SCHEMBL11495133 0.82 FAAH (0.65) LMNAMMP2SOAT1MEN1FAAH
SCHEMBL13630657 0.82 LMNA (0.84) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL3347764 0.82 ALDH1A1 (0.55) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL15378315 0.81 LMNA (0.81) LMNAALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7999006-B2 Anticancer agents; mitogen-activated protein kinases (MEK) EXELIXIS, INC. (US) 2011-08-16 US disclosed