SCHEMBL6944943

SCHEMBL6944943

COC(=O)c1ccc(NC(=O)c2sc3ccc(OC)cc3c2OC(C)C)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 3/20 0.64
SELE P16581 3/20 0.64
MPO P05164 1/20 0.58
CYSLTR1 Q9Y271 1/20 0.58
VCAM1 P19320 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 2/20 0.47
AHR P35869 1/20 0.47
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP1B1 Q16678 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
EDNRA P25101 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 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
SCHEMBL6943755 0.92 ICAM1 (0.64) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6936048 0.87 ICAM1 (0.70) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL9366050 0.85 LMNA (0.46) ICAM1SELEMPOCYSLTR1SMN1; SMN2
SCHEMBL6938411 0.81 ICAM1 (0.70) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6940366 0.79 ICAM1 (0.74) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6945268 0.79 ICAM1 (0.81) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL8443506 0.79 ICAM1 (1.00) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL9362610 0.78 ICAM1 (0.73) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6940698 0.78 ICAM1 (0.66) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL9367556 0.78 P4HTM (0.48) ICAM1SELEMPOCYSLTR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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