SCHEMBL9228641

SCHEMBL9228641

CC1CC(O)(c2cc(OCc3ccccc3)cc(C(F)(F)F)c2)CCO1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.40
ALOX5 P09917 7/20 0.39
PDK2 Q15119 1/20 0.39
SLC6A4 P31645 2/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
TACR1 P25103 1/20 0.36
SOS1 Q07889 1/20 0.35
PLAT P00750 1/20 0.35

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
SCHEMBL9228321 0.90 ALOX5 (0.44) ADAM17ALOX5
SCHEMBL9212541 0.86 ALOX5 (0.49) ALOX5
SCHEMBL9212534 0.86 ALOX5 (0.49) ALOX5
SCHEMBL9212748 0.86 ALOX5 (0.49) ALOX5
SCHEMBL9225334 0.86 ALOX5 (0.40) ADAM17ALOX5SLC6A4HTR2CHTR2B
SCHEMBL9211005 0.84 ALOX5 (0.47) ADAM17ALOX5
SCHEMBL9222777 0.84 ALOX5 (0.47) ADAM17ALOX5
SCHEMBL9222783 0.84 ALOX5 (0.47) ADAM17ALOX5
SCHEMBL12638738 0.84 ALOX5 (0.47) ADAM17ALOX5
SCHEMBL9224526 0.84 ALOX5 (0.47) ALOX5PDK2MRGPRX4PSEN1PSEN2

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