SCHEMBL8029286

SCHEMBL8029286

O=C1c2cc(OCc3ccc4ccccc4n3)ccc2OCC1OC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.46
LTB4R Q15722 4/20 0.45
HDAC6 Q9UBN7 1/20 0.44
PDE10A Q9Y233 1/20 0.44
ALOX5AP P20292 2/20 0.43
CYSLTR1 Q9Y271 2/20 0.42
GPBAR1 Q8TDU6 1/20 0.42

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
SCHEMBL8032653 0.84 ALOX5 (0.47) ALOX5LTB4RHDAC6PDE10AALOX5AP
SCHEMBL8465452 0.83 LTB4R (0.50) ALOX5LTB4RPDE10ACYSLTR1GPBAR1
SCHEMBL8030940 0.82 ALOX5 (0.45) ALOX5LTB4RHDAC6PDE10ACYSLTR1
SCHEMBL8523093 0.80 LTB4R (0.55) ALOX5LTB4RPDE10ACYSLTR1GPBAR1
SCHEMBL8034954 0.79 ALOX5 (0.48) ALOX5LTB4RHDAC6PDE10ACYSLTR1
SCHEMBL8461917 0.79 ALOX5 (0.49) ALOX5LTB4RPDE10AALOX5APCYSLTR1
SCHEMBL8465764 0.79 LTB4R (0.53) ALOX5LTB4RPDE10ACYSLTR1GPBAR1
SCHEMBL8029290 0.78 LTB4R (0.59) ALOX5LTB4RHDAC6PDE10AALOX5AP
SCHEMBL8029296 0.78 LTB4R (0.59) ALOX5LTB4RHDAC6PDE10AALOX5AP
SCHEMBL8029294 0.78 LTB4R (0.59) ALOX5LTB4RHDAC6PDE10AALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6166031-A Substituted tetralins, chromans and related compounds in the treatment of asthma PFIZER INC, (US) 2000-12-26 US disclosed
EP-0313296-B1 Substituted chromans and related compounds in the treatment of asthma PFIZER (US) 1993-12-29 EP disclosed
WO-1989003681-A1 SUBSTITUTED TETRALINS, CHROMANS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA PFIZER INC. (US) 1989-05-05 WO disclosed
EP-0313296-A2 Substituted chromans and related compounds in the treatment of asthma PFIZER INC. (US) 1989-04-26 EP disclosed