SCHEMBL8465739

SCHEMBL8465739

COC(=O)c1cccc(CC2CC(O)c3cc(OCc4ccccn4)ccc3O2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.42
GPR132 Q9UNW8 1/20 0.41
MRGPRX4 Q96LA9 3/20 0.41
CYSLTR2 Q9NS75 5/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
MAPK14 Q16539 1/20 0.38
SMO Q99835 1/20 0.38
PARP10 Q53GL7 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPIA P62937 1/20 0.37

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
SCHEMBL8465614 0.82 LOXL2 (0.43) MRGPRX4RAB9ASMN1; SMN2
SCHEMBL8465579 0.82 CYSLTR1 (0.55) CYSLTR1CYSLTR2
SCHEMBL8465588 0.82 CYSLTR1 (0.55) CYSLTR1CYSLTR2
SCHEMBL8465586 0.82 CYSLTR1 (0.55) CYSLTR1CYSLTR2
SCHEMBL8465734 0.82 CYSLTR1 (0.55) CYSLTR1CYSLTR2
SCHEMBL8462737 0.72 CYSLTR1 (0.64) CYSLTR1CYSLTR2
SCHEMBL8462745 0.72 CYSLTR1 (0.64) CYSLTR1CYSLTR2
SCHEMBL8462733 0.72 CYSLTR1 (0.64) CYSLTR1CYSLTR2
SCHEMBL8464461 0.71 LTB4R (0.69) CYSLTR1CYSLTR2
SCHEMBL8524172 0.71 LTB4R (0.69) CYSLTR1CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998451-A LIPOXYGENASE INHIBITORS PFIZER INC (US) 1999-12-07 US disclosed
US-5059609-A Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions PFIZER INC. (US) 1991-10-22 US disclosed
EP-0313295-A2 Substituted tetralins, chromans and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1989-04-26 EP disclosed