SCHEMBL7524110

SCHEMBL7524110

COC(=C1C2CC3CC(C2)CC1C3)c1ccc(OC)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
TUBB1 Q9H4B7 6/20 0.41
TUBB4A P04350 5/20 0.41
TUBB P07437 5/20 0.41
TUBA3C P0DPH7 5/20 0.41
TUBA1B P68363 5/20 0.41
TUBA4A P68366 5/20 0.41
TUBB4B P68371 5/20 0.41
TUBB3 Q13509 5/20 0.41
TUBB2A Q13885 5/20 0.41
TUBB8 Q3ZCM7 5/20 0.41
TUBA3E Q6PEY2 5/20 0.41
TUBA1A Q71U36 5/20 0.41
TUBA1C Q9BQE3 5/20 0.41
TUBB6 Q9BUF5 5/20 0.41
TUBB2B Q9BVA1 5/20 0.41
PDE4D Q08499 4/20 0.40
PDE4B Q07343 4/20 0.40
PDE4A P27815 3/20 0.40
PDE4C Q08493 3/20 0.40

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
SCHEMBL29030455 0.83 ESR1 (0.38) ESR1
SCHEMBL29030456 0.83 ESR1 (0.38) PDE4DESR1P4HB
SCHEMBL10199696 0.83 ESR1 (0.38) ESR1ALDH1A1
SCHEMBL19204564 0.83 ESR1 (0.38) ESR1
SCHEMBL10199844 0.82 PKM (0.39) PDE4DPDE4BPDE4APDE4CPKM
SCHEMBL25519028 0.79 ESR1 (0.40) ESR1
SCHEMBL8854606 0.79 ESR1 (0.52) ESR1
SCHEMBL8749248 0.78 KDM2B (0.41) TUBB3PKMCNR2ESR1ALDH1A1
SCHEMBL7523187 0.77 PKM (0.39) PDE4DPDE4BPDE4APDE4CPKM
SCHEMBL14514173 0.77 CNR2 (0.47) CNR2ESR1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666891-B1 CHEMILUMINESCENT ELECTRON-RICH ARYL-SUBSTITUTED 1,2-DIOXETANES ABBOTT LAB (US) 2002-01-16 EP disclosed
US-6139781-A SUBSTITUTED ARYL-CONTAINING 1,2-DIOXETANE COMPOUNDS CAN BE USED AS DIRECT LABELS IN AN IMMUNOASSAY OR WHEN DERIVATIZED WITH AN APPROPRIATE LEAVING GROUP, CAN BE USED AS SUBSTRATE FOR AN ENZYME IMMUNOASSAY ABBOTT LABORATORIES (US) 2000-10-31 US disclosed
US-6001561-A AN ANALYTE-SPECIFIC BINDING MEMBER CONJUGATED TO A CHEMILUMINESCENT COMPOUND; FOR SENSITIVE AND ACCURATE ANALYSIS AND FOR CONTROLLING TIMING OF LUMINESCENT REACTION ABBOTT LABORATORIES (US) 1999-12-14 US disclosed
US-6001659-A DETERMINING PRESENCE OF ANALYTE IN SAMPLE BY CONTACTING WITH INDICATOR OF AN ANALYTE-SPECIFIC BINDING MEMBER CONJUGATED TO A CHEMILUMINESCENT COMPOUND, AND DETECTING SIGNAL GENERATED; TIMING OF LUMINESCENT REACTION CAN BE CONTROLLED ABBOTT LABORATORIES (US) 1999-12-14 US disclosed
US-5780249-A SENSITIVE AND ACCURATE RECEPTOR BINDING ASSAY, IMMUNOASSAY ABBOTT LABORATORIES (US) 1998-07-14 US disclosed
US-5607625-A TEST KITS CONTAINING THE DIOXETANES ABBOTT LABORATORIES (US) 1997-03-04 US disclosed
US-5603868-A USEFUL FOR IMMUNOASSAY ABBOTT LABORATORIES (US) 1997-02-18 US disclosed