SCHEMBL9225334

SCHEMBL9225334

COC1(c2cc(OCc3ccccc3)cc(C(F)(F)F)c2)CCOC(C)C1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.40
ADAM17 P78536 2/20 0.39
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2B P41595 1/20 0.38
PTGS2 P35354 2/20 0.37
PTGS1 P23219 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
SCHEMBL9210920 0.87 ALOX5 (0.52) ALOX5PTGS2PTGS1
SCHEMBL9226271 0.87 ALOX5 (0.52) ALOX5PTGS2PTGS1
SCHEMBL9226267 0.87 ALOX5 (0.52) ALOX5PTGS2PTGS1
SCHEMBL9228641 0.86 ADAM17 (0.40) ALOX5ADAM17HTR2CSLC6A4HTR2B
SCHEMBL9254867 0.86 ALOX5 (0.54) ALOX5PTGS2PTGS1
SCHEMBL9226911 0.85 ALOX5 (0.49) ALOX5
SCHEMBL9218747 0.83 ALOX5 (0.57) ALOX5ADAM17
SCHEMBL9227946 0.83 ALOX5 (0.57) ALOX5ADAM17
SCHEMBL9218329 0.81 ALOX5 (0.39) ALOX5PTGS2PTGS1
SCHEMBL9227917 0.79 CCR2 (0.32)

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-5403859-A PHENYLENE-CYCLIC ETHER COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-04-04 US disclosed
EP-0375404-B1 Heterocyclic derivatives ICI PLC (GB) 1994-02-09 EP disclosed
US-5234950-A Antiallergens, antiinflammatory agents; cardiovascular disorders, antiarthritic IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-10 US disclosed
US-5098930-A Inhibitors of lipoxygenase for treatment of diseases mediated with leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-24 US disclosed