SCHEMBL8828962

SCHEMBL8828962

NCC1CCC(C(=O)N(C2CCCCC2)C2CCCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
PLG P00747 1/20 0.50
PLAT P00750 1/20 0.50
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ALOX5 P09917 3/20 0.34
HSD11B1 P28845 2/20 0.33
PHGDH O43175 1/20 0.33
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 3/20 0.33
TSHR P16473 1/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
F2 P00734 1/20 0.32
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL8597541 1.00 LMNA (0.50) LMNAPLGPLATCYP2D6SLC6A2
Hydrochloric Acid SCHEMBL8597667 0.98 LMNA (0.48) LMNAPLGPLATCYP2D6SLC6A2
Hydrochloric Acid SCHEMBL8597672 0.98 LMNA (0.48) LMNAPLGPLATCYP2D6SLC6A2
SCHEMBL2229504 0.84 PHGDH (0.43) LMNAHSD11B1PHGDHS1PR1S1PR3
SCHEMBL1422071 0.80 CES2 (0.48) LMNAHSD11B1PHGDHS1PR1S1PR3
SCHEMBL556990 0.79 ALDH1A1 (0.38) LMNACYP2D6ALOX5HSD11B1PHGDH
SCHEMBL2229500 0.77 LMNA (0.38) LMNAPLGPLATHSD11B1PHGDH
SCHEMBL9001734 0.74 PHGDH (0.41) LMNAHSD11B1PHGDHS1PR1S1PR3
SCHEMBL8596855 0.74 PLG (0.53) LMNAPLGPLATCYP2D6SLC6A2
SCHEMBL8596856 0.74 PLG (0.53) LMNAPLGPLATCYP2D6SLC6A2

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-5690914-A TRANEXAMIC ACID DERIVATIVES FOR DEPIGMENTATION SHISEIDO CO., LTD (JP) 1997-11-25 US disclosed