SCHEMBL7402196

SCHEMBL7402196

COC(=O)c1ccc(OCCCCCl)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.77
RAB9A P51151 4/20 0.68
L3MBTL1 Q9Y468 2/20 0.58
TDP1 Q9NUW8 1/20 0.57
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
GAA P10253 2/20 0.56
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL1794811 0.98 MAPT (0.74) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL2088837 0.95 MAPT (0.79) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL6835771 0.91 MAPT (0.79) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL5054312 0.91 MAPT (0.85) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL23986620 0.91 MAPT (0.64) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL28719287 0.91 MAPT (0.64) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL7598720 0.90 MAPT (0.72) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL23986567 0.90 MAPT (0.62) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL23986319 0.90 MAPT (0.62) MAPTRAB9AL3MBTL1TDP1CA1
SCHEMBL28461007 0.90 MAPT (0.62) MAPTRAB9AL3MBTL1TDP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5648368-A ANTICOAGULANTS MERCK & CO., INC. (US) 1997-07-15 US disclosed
EP-0673247-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-05-01 EP disclosed
EP-0673247-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-09-27 EP disclosed
WO-1994012181-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-06-09 WO disclosed
US-4950674-A Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-21 US disclosed