SCHEMBL8691002

SCHEMBL8691002

NCCCCC(N)C(=O)NCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.71
LTA4H P09960 1/20 0.56
TLR2 O60603 1/20 0.52
GNAI3 P08754 1/20 0.49
GNAO1 P09471 1/20 0.49
GNAI1 P63096 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
TERT O14746 2/20 0.48
SPHK1 Q9NYA1 1/20 0.48
MMP8 P22894 1/20 0.48
GSR P00390 1/20 0.47
EGFR P00533 1/20 0.47
SRC P12931 1/20 0.47

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
SCHEMBL3907033 1.00 MMP2 (0.71) MMP2LTA4HTLR2GNAI3GNAO1
SCHEMBL8526418 0.95 MMP2 (0.64) MMP2LTA4HCYP1A2CYP2D6CYP2C9
SCHEMBL9275540 0.95 MMP2 (0.64) MMP2LTA4HCYP1A2CYP2D6CYP2C9
SCHEMBL3583374 0.89 MMP2 (0.56) MMP2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL30120748 0.89 MMP2 (0.56) MMP2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL16150370 0.88 MMP2 (0.56) MMP2SPHK1MMP8EGFRSRC
SCHEMBL16150371 0.88 MMP2 (0.56) MMP2SPHK1MMP8EGFRSRC
Hydrochloric Acid SCHEMBL28736783 0.88 MMP2 (0.55) MMP2CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL17531100 0.87 SPHK1 (0.64) MMP2TLR2GNAI3GNAO1GNAI1
SCHEMBL30889119 0.85 MMP2 (0.67) MMP2LTA4HTLR2GNAI3GNAO1

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-5759827-A Acylated oligopeptides for transfecting cells HOFFMANN-LA ROCHE INC. (US) 1998-06-02 US disclosed