SCHEMBL6936048

SCHEMBL6936048

COC(=O)c1ccc(NC(=O)c2sc3ccc(OC)cc3c2OC(C)C)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 3/20 0.70
SELE P16581 3/20 0.70
VCAM1 P19320 1/20 0.63
MPO P05164 1/20 0.63
CYSLTR1 Q9Y271 1/20 0.63
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 5/20 0.48
KDM4E B2RXH2 2/20 0.48
EDNRA P25101 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL6938411 0.91 ICAM1 (0.70) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL9362610 0.89 ICAM1 (0.73) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL6940366 0.88 ICAM1 (0.74) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL6944943 0.87 ICAM1 (0.64) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL6940414 0.85 ICAM1 (0.65) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL6940315 0.84 ICAM1 (0.66) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL6938424 0.84 ICAM1 (0.66) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL6944508 0.84 ICAM1 (0.66) ICAM1SELEVCAM1MPOCYSLTR1
SCHEMBL9433496 0.84 MAPT (0.63) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9433272 0.83 NPC1 (0.49) ICAM1SELEVCAM1MPOCYSLTR1

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 6 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
US-5208253-A Antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1993-05-04 US disclosed