SCHEMBL7906341

SCHEMBL7906341

CC(C(O)c1ccccc1)N(C)C(=O)CCC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
NPY5R Q15761 8/20 0.49
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KLK7 P49862 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
AOC3 Q16853 1/20 0.42
NPY2R P49146 1/20 0.42

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
SCHEMBL4992458 0.78 GAA (0.80) GAANPY5RALDH1A1KDM4EAOC3
SCHEMBL25409408 0.78 GAA (0.80) GAANPY5RALDH1A1KDM4EAOC3
SCHEMBL5804993 0.78 GAA (0.80) GAANPY5RALDH1A1KDM4EAOC3
SCHEMBL8152205 0.78 GAA (0.51) GAANPY5RALDH1A1KDM4EAOC3
SCHEMBL8728663 0.76 GAA (0.67) GAANPY5RALDH1A1KDM4EMEN1
SCHEMBL8728560 0.76 GAA (0.67) GAANPY5RALDH1A1KDM4EMEN1
SCHEMBL16147201 0.76 GAA (0.67) GAANPY5RALDH1A1KDM4EMEN1
SCHEMBL6908215 0.75 GAA (0.74) GAANPY5RALDH1A1KDM4EAOC3
SCHEMBL3447213 0.75 GAA (0.74) GAANPY5RALDH1A1KDM4EAOC3
SCHEMBL6223855 0.75 GAA (0.74) GAANPY5RALDH1A1KDM4EAOC3

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-6204293-B1 INHIBITING POST-TRANSLATIONAL MODIFICATION OF THE ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE, PROTEIN GERANYLGERANYLTRANSFERASE, OR BOTH UNIVERSITY OF PITTSBURGH 2001-03-20 US disclosed