SCHEMBL7997620

SCHEMBL7997620

CCNC(CCCc1ccccc1)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.52
GGT1 P19440 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MMP1 P03956 3/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
MMP9 P14780 1/20 0.44
EPHX2 P34913 2/20 0.43
KDM4A O75164 1/20 0.43
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 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
SCHEMBL29152262 0.89 MMP3 (0.51) MMP3GGT1SMN1; SMN2MMP1CYP2D6
SCHEMBL1755666 0.86 MMP3 (0.54) MMP3GGT1SMN1; SMN2CYP2D6CYP2C9
SCHEMBL24233258 0.84 MMP3 (0.48) MMP3SMN1; SMN2MMP1CYP2D6CYP2C9
SCHEMBL24233261 0.84 MMP3 (0.48) MMP3SMN1; SMN2MMP1CYP2D6CYP2C9
SCHEMBL25058925 0.84 MMP3 (0.48) MMP3SMN1; SMN2MMP1CYP2D6CYP2C9
SCHEMBL10889835 0.84 MMP3 (0.49) MMP3SMN1; SMN2LMNAHDAC3HDAC4
SCHEMBL16329068 0.83 GNPAT (0.51) MMP3SMN1; SMN2MMP1CYP2D6CYP2C9
SCHEMBL14027140 0.80 SIGMAR1 (0.55) PKMHDAC3HDAC4HDAC1HDAC2
SCHEMBL2208436 0.79 MME (0.55) GGT1SMN1; SMN2KMT2AHPGD
SCHEMBL2208433 0.79 MME (0.55) GGT1SMN1; SMN2KMT2AHPGD

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
WO-2009125424-A2 PEPTIDOMIMETICS WITH GLUCAGON ANTAGONISTIC AND GLP-1 AGONISTIC ACTIVITIES CADILA HEALTHCARE LIMITED (IN) 2009-10-15 WO disclosed