SCHEMBL6940414

SCHEMBL6940414

COC(=O)c1ccc(NC(=O)c2sc3ccc(OC)cc3c2OC(C)C)cc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 3/20 0.65
SELE P16581 3/20 0.65
MPO P05164 1/20 0.59
CYSLTR1 Q9Y271 1/20 0.59
VCAM1 P19320 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.46
EDNRA P25101 1/20 0.45
KLKB1 P03952 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PNLIP P16233 1/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL6942974 0.92 ICAM1 (0.65) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6936048 0.85 ICAM1 (0.70) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL9362610 0.83 ICAM1 (0.73) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6940366 0.82 ICAM1 (0.74) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6938411 0.81 ICAM1 (0.70) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL8443506 0.79 ICAM1 (1.00) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6945268 0.79 ICAM1 (0.81) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6945234 0.79 ICAM1 (0.66) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6940315 0.79 ICAM1 (0.66) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6938424 0.79 ICAM1 (0.66) 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 8 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
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
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
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