SCHEMBL6440669

SCHEMBL6440669

COc1ccc2sc(C(=O)Nc3nnn[nH]3)c(OC(C)C)c2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.69
CYSLTR1 Q9Y271 1/20 0.69
ICAM1 P05362 3/20 0.65
SELE P16581 3/20 0.65
VCAM1 P19320 1/20 0.58
EDNRA P25101 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 6/20 0.36
RAB9A P51151 5/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL8767124 0.99 MPO (0.68) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL6568731 0.92 MPO (0.59) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL9247114 0.91 MPO (0.56) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL9371455 0.90 MPO (0.57) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL9375225 0.89 ICAM1 (0.57) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL10372239 0.89 MPO (0.55) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL10373579 0.88 MPO (0.54) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL9246120 0.87 MPO (0.52) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL10372978 0.87 MPO (0.52) MPOCYSLTR1ICAM1SELEVCAM1
SCHEMBL9371073 0.86 EDNRA (0.66) MPOCYSLTR1ICAM1SELEVCAM1

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6471997-B1 ANTAGONIST OF CALCITONIN GENE RELATED PEPTIDE, CGRP AND/OR OF SUBSTANCE P; COSMETIC SOCIETE L'OREAL S.A. (FR) 2002-10-29 US claimed
US-5993833-A Histamine antagonist, an interleukin-1 antagonist and/or a TNF alpha antagonist in a cosmetic, pharmaceutical or dermatological composition SOCIETE L'OREAL S.A. (FR) 1999-11-30 US claimed
EP-0765668-B1 Extract of Iridaceas and compositions containing it OREAL (FR) 1999-03-17 EP claimed
US-5795574-A COSMETICS WITH SUBSTANCE P ANTAGONIST SOCIETE L'OREAL S.A. (FR) 1998-08-18 US claimed
EP-0761204-B1 Use of extracts of filamentous, non photosynthetic bacteria and the composition containing them OREAL (FR) 1998-04-15 EP claimed
EP-0765668-A1 Extract of Iridaceas and composition containing it L'OREAL (FR) 1997-04-02 EP claimed
WO-1997009056-A1 EXTRACT OF IRIDACEAE AND COMPOSITIONS CONTAINING SUCH EXTRACT L'OREAL (FR) 1997-03-13 WO claimed
EP-0761204-A1 Use of extracts of filamentous, non photosynthetic bacteria and the composition containing them L'OREAL (FR) 1997-03-12 EP claimed
EP-0299457-B1 Novel benzothiophenes having antiallergic activity and both novel and other selected benzothiophenes having activity for treating acute respiratory distress syndrome WARNER LAMBERT CO (US) 1994-09-21 EP claimed
EP-0187487-B1 BENZOTHIOPHENES AND BENZOFURANS HAVING ANTIALLERGIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1990-08-29 EP claimed
US-4931459-A ADMINISTERING SUBSTITUTED BENZOTHIOPHENES OR BENZOFURANS WARNER-LAMBERT COMPANY (US) 1990-06-05 US claimed
US-4703053-A Benzothiophenes and benzofurans and antiallergic use thereof WARNER-LAMBERT COMPANY (US) 1987-10-27 US claimed
EP-0187487-A1 Benzothiophenes and benzofurans having antiallergic activity WARNER-LAMBERT COMPANY (US) 1986-07-16 EP claimed
US-20050222193-A1 Novel combination for the treatment of airway disorders ALTANA PHARMA AG (DE) 2005-10-06 US disclosed
WO-2005074932-A1 THE USE OF (S) - PANTOPRAZOLE MAGNESIUM FOR THE TREATMENT OF AIRWAY DISORDERS ALTANA PHARMA AG (DE) 2005-08-18 WO disclosed
US-20050165041-A1 Combination for the treatment of airway disorders ALTANA PHARMA AG (DE) 2005-07-28 US disclosed
US-4931459-A ADMINISTERING SUBSTITUTED BENZOTHIOPHENES OR BENZOFURANS WARNER-LAMBERT COMPANY (US) 1990-06-05 US disclosed
US-4910317-A Containing a 5-amidetetrazole substitution in position 2 WARNER-LAMBERT COMPANY (US) 1990-03-20 US disclosed
US-4703053-A Benzothiophenes and benzofurans and antiallergic use thereof WARNER-LAMBERT COMPANY (US) 1987-10-27 US disclosed
EP-0187487-A1 Benzothiophenes and benzofurans having antiallergic activity WARNER-LAMBERT COMPANY (US) 1986-07-16 EP disclosed