SCHEMBL8445133

SCHEMBL8445133

Cc1ccc2sc(C(N)=O)c(OC(C)C)c2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 4/20 0.76
SELE P16581 4/20 0.76
VCAM1 P19320 2/20 0.74
EDNRA P25101 1/20 0.48
MPO P05164 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
PRNP P04156 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
PPARG P37231 1/20 0.38
HTT P42858 1/20 0.38
MAPK10 P53779 1/20 0.38
NCOA2 Q15596 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LIMK1 P53667 3/20 0.38
IKBKB O14920 2/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
PARP10 Q53GL7 1/20 0.36

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
SCHEMBL8442408 0.87 EDNRA (0.61) ICAM1SELEVCAM1EDNRAMPO
SCHEMBL8443032 0.86 ICAM1 (0.76) ICAM1SELEVCAM1EDNRAMPO
SCHEMBL8443644 0.86 ICAM1 (1.00) ICAM1SELEVCAM1EDNRAMPO
SCHEMBL8443128 0.85 ICAM1 (0.74) ICAM1SELEVCAM1EDNRAMPO
SCHEMBL6940328 0.85 ICAM1 (1.00) ICAM1SELEVCAM1EDNRAMPO
SCHEMBL17149277 0.85 ICAM1 (0.58) ICAM1SELEVCAM1EDNRAMPO
SCHEMBL6938271 0.81 ICAM1 (0.68) ICAM1SELEVCAM1EDNRAMAPK1
SCHEMBL8443035 0.81 ICAM1 (0.67) ICAM1SELEVCAM1EDNRAMPO
SCHEMBL12597629 0.77 LIMK1 (0.47) ICAM1SELEVCAM1PRNPTSHR
SCHEMBL8443374 0.77 ICAM1 (0.62) ICAM1SELEVCAM1EDNRAPRNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628038-B1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO [b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER LAMBERT CO (US) 1999-08-04 EP claimed
US-5444085-A Administering benzothiophene compounds WARNER-LAMBERT COMPANY (US) 1995-08-22 US claimed
WO-1995005170-A1 METHODS OF INHIBITING HIV AND INHIBITING THE ACTIVATION OF HIV WARNER-LAMBERT COMPANY (US) 1995-02-23 WO claimed
EP-0628038-A1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER-LAMBERT COMPANY (US) 1994-12-14 EP claimed
WO-1993017008-A1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO[b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER-LAMBERT COMPANY (US) 1993-09-02 WO claimed
US-5208253-A Antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1993-05-04 US claimed
EP-0628038-B1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO [b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER LAMBERT CO (US) 1999-08-04 EP disclosed
US-5444085-A Administering benzothiophene compounds WARNER-LAMBERT COMPANY (US) 1995-08-22 US disclosed
EP-0628038-A1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER-LAMBERT COMPANY (US) 1994-12-14 EP disclosed
US-5356926-A Antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1994-10-18 US disclosed
WO-1993017008-A1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO[b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER-LAMBERT COMPANY (US) 1993-09-02 WO disclosed
US-5208253-A Antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1993-05-04 US disclosed