SCHEMBL6179935

SCHEMBL6179935

NC(=O)CCC(=O)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
HTT P42858 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.48
CTRB1 P17538 2/20 0.48
PLAU P00749 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL4425698 0.87 HTT (0.60) CA12CA1CA2CA9HTT
SCHEMBL27700793 0.87 CA12 (0.54) CA12CA1CA2CA9HTT
SCHEMBL10592370 0.84 HDAC2 (0.61) CA12CA1CA2CA9HTT
SCHEMBL11059917 0.83 LTA4H (0.56) CA12CA1CA2CA9HTT
SCHEMBL4634914 0.82 CA12 (0.55) CA12CA1CA2CA9HTT
SCHEMBL2185920 0.82 CA12 (0.58) CA12CA1CA2CA9HTT
SCHEMBL11153003 0.81 LTA4H (0.59) CA12CA1CA2CA9HTT
SCHEMBL234454 0.81 LMNA (0.62) CA12CA1CA2CA9HTT
SCHEMBL10980848 0.80 ALDH1A1 (0.59) CA12CA1CA2CA9HTT
SCHEMBL959995 0.80 ALDH1A1 (0.45) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140909-B1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORP (US) 2005-07-06 EP disclosed
US-6432959-B1 ANTITUMOR AGENTS SCHERING CORPORATION 2002-08-13 US disclosed
EP-1140909-A1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2001-10-10 EP disclosed
WO-2000039119-A1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2000-07-06 WO disclosed