SCHEMBL6942974

SCHEMBL6942974

COc1ccc2sc(C(=O)Nc3ccc(C(=O)O)c(O)c3)c(OC(C)C)c2c1

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
EDNRA P25101 1/20 0.49
PRSS12 P56730 5/20 0.44
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.43
SIRT5 Q9NXA8 2/20 0.42
KLKB1 P03952 1/20 0.42
PNLIP P16233 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MMP2 P08253 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
SCHEMBL6940414 0.92 ICAM1 (0.65) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6938411 0.85 ICAM1 (0.70) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6940366 0.84 ICAM1 (0.74) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL9362610 0.83 ICAM1 (0.73) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6940698 0.83 ICAM1 (0.66) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6945234 0.83 ICAM1 (0.66) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL9424706 0.82 ICAM1 (0.58) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6936048 0.81 ICAM1 (0.70) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL6944508 0.81 ICAM1 (0.66) ICAM1SELEMPOCYSLTR1VCAM1
SCHEMBL5040288 0.80 ICAM1 (0.78) 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