SCHEMBL9650211

SCHEMBL9650211

CC(Cc1ccc(OCCCN)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.56
ITGA2B P08514 4/20 0.56
ACACB O00763 12/20 0.51
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA9 Q16790 4/20 0.48

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
SCHEMBL15764483 0.90 ACACB (0.62) ITGB3ITGA2BACACB
SCHEMBL9650533 0.89 ITGB3 (0.57) ITGB3ITGA2BACACBCA12CA1
SCHEMBL9650513 0.88 ITGB3 (0.56) ITGB3ITGA2BACACBCA12CA1
SCHEMBL7300335 0.86 ITGB3 (0.76) ITGB3ITGA2B
SCHEMBL8732422 0.82 HDAC8 (0.53) ITGB3ITGA2BACACB
SCHEMBL8732428 0.82 HDAC8 (0.53) ITGB3ITGA2BACACB
SCHEMBL12203612 0.82 ACACB (0.58) ITGB3ITGA2BACACB
SCHEMBL8732751 0.82 ACACB (0.58) ITGB3ITGA2BACACB
SCHEMBL256796 0.81 ACACB (0.62) ACACB
SCHEMBL8732743 0.81 ACACB (0.50) ITGB3ITGA2BACACB

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
EP-0279213-B1 FLUORESCENCE POLARIZATION IMMUNOASSAY FOR AMPHETAMINE/METHAMPHETAMINE ABBOTT LABORATORIES (US) 1992-10-21 EP disclosed
US-4952336-A USING TWO FLUORESCEIN TRACER DERIVATIVES ABBOTT LABORATORIES (US) 1990-08-28 US disclosed
US-4868132-A BINDING TO A FLUORESCEIN TYPE TRACER, PRETREATMENT WITH PERIODATE ABBOTT LABORATORIES (US) 1989-09-19 US disclosed
EP-0279213-A1 Fluorescence polarization immunoassay for amphetamine/methamphetamine ABBOTT LABORATORIES (US) 1988-08-24 EP disclosed