SCHEMBL6940698

SCHEMBL6940698

COc1ccc2sc(C(=O)Nc3ccccc3C(=O)O)c(OC(C)C)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 3/20 0.66
SELE P16581 3/20 0.66
MPO P05164 1/20 0.60
CYSLTR1 Q9Y271 1/20 0.60
VCAM1 P19320 1/20 0.59
EDNRA P25101 1/20 0.58
PRSS12 P56730 4/20 0.51
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
TRPA1 O75762 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
F10 P00742 2/20 0.45
HCAR2 Q8TDS4 2/20 0.44

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
SCHEMBL6940366 0.87 ICAM1 (0.74) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL9211107 0.85 PRSS12 (0.50) ICAM1SELEMPOCYSLTR1EDNRA
SCHEMBL6942974 0.83 ICAM1 (0.65) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6938411 0.82 ICAM1 (0.70) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6943755 0.82 ICAM1 (0.64) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6945234 0.82 ICAM1 (0.66) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL5040288 0.81 ICAM1 (0.78) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6939047 0.80 ICAM1 (0.58) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL8443506 0.80 ICAM1 (1.00) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6945268 0.80 ICAM1 (0.81) ICAM1SELEMPOCYSLTR1VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0916666-A1 3-alkyloxy-,aryloxy-, or arylalkyloxy-benzo[b]thiophene-2-carboxamides as inhibitors of cell adhesion WARNER-LAMBERT COMPANY (US) 1999-05-19 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-0916666-B1 3-(1-Methylethoxy)benzo[b]thiophene-2-carboxamides as inhibitors of cell adhesion WARNER LAMBERT CO (US) 2003-05-07 EP disclosed
EP-0916666-A1 3-alkyloxy-,aryloxy-, or arylalkyloxy-benzo[b]thiophene-2-carboxamides as inhibitors of cell adhesion WARNER-LAMBERT COMPANY (US) 1999-05-19 EP disclosed
US-5444085-A Administering benzothiophene compounds WARNER-LAMBERT COMPANY (US) 1995-08-22 US disclosed
WO-1995005170-A1 METHODS OF INHIBITING HIV AND INHIBITING THE ACTIVATION OF HIV WARNER-LAMBERT COMPANY (US) 1995-02-23 WO 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