SCHEMBL6944508

SCHEMBL6944508

COc1ccc2sc(C(=O)Nc3ccc(CC(=O)O)cc3)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 0.53
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGS1 P23219 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
NR1H4 Q96RI1 5/20 0.42
KLK7 P49862 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
CYP26A1 O43174 1/20 0.41
CYP26B1 Q9NR63 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6938424 0.92 ICAM1 (0.66) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6939163 0.89 ICAM1 (0.62) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6940366 0.87 ICAM1 (0.74) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL9219433 0.87 KDM4E (0.50) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6938411 0.86 ICAM1 (0.70) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL9362610 0.86 ICAM1 (0.73) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6936048 0.84 ICAM1 (0.70) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL9424695 0.83 ICAM1 (0.58) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6940315 0.82 ICAM1 (0.66) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6940553 0.81 ICAM1 (0.62) 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