SCHEMBL7917239

SCHEMBL7917239

O=C(O)c1ccc2oc(CCCCl)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.51
F2 P00734 1/20 0.50
F10 P00742 1/20 0.50
HRH3 Q9Y5N1 5/20 0.41
TP53 P04637 1/20 0.40
FFAR4 Q5NUL3 3/20 0.39
HDAC6 Q9UBN7 2/20 0.39
FFAR1 O14842 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TTR P02766 1/20 0.38

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
SCHEMBL3244824 0.85 TBXAS1 (0.51) TBXAS1F2F10HRH3TP53
SCHEMBL7917223 0.83 TBXAS1 (0.49) TBXAS1F2F10TP53
SCHEMBL6300465 0.82 TBXAS1 (0.53) TBXAS1F2F10HRH3TP53
SCHEMBL7795543 0.82 TBXAS1 (0.53) TBXAS1F2F10HRH3TP53
SCHEMBL5044528 0.81 TBXAS1 (0.47) TBXAS1F2F10HRH3TP53
SCHEMBL8453878 0.78 TBXAS1 (0.56) TBXAS1F2F10HRH3TP53
SCHEMBL6298868 0.78 TBXAS1 (0.56) TBXAS1F2F10HRH3TP53
SCHEMBL2901877 0.75 TBXAS1 (0.47) TBXAS1F2F10HRH3TP53
SCHEMBL8142148 0.74 TBXAS1 (0.46) TBXAS1F2F10HRH3TP53
SCHEMBL10965353 0.73 HDAC6 (0.48) TBXAS1F2F10HDAC6HDAC3

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-0858454-B1 COMBINATORIAL SOLID PHASE SYNTHESIS OF A LIBRARY OF BENZOFURAN DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2001-06-20 EP disclosed
US-5919955-A IMMOBILIZATION ON SUPPORT; DEPROTECTING; REACTING WITH ACETYLENIC COMPOUND; CLEAVAGE FROM SUPPORT PHARMACIA & UPJOHN S.P.A. (IT) 1999-07-06 US disclosed
EP-0858454-A1 COMBINATORIAL SOLID PHASE SYNTHESIS OF A LIBRARY OF BENZOFURAN DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1998-08-19 EP disclosed
WO-1997044338-A1 COMBINATORIAL SOLID PHASE SYNTHESIS OF A LIBRARY OF BENZOFURAN DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1997-11-27 WO disclosed