SCHEMBL9906220

SCHEMBL9906220

O=C(CCCCC1SC[C@@H]2NC(=O)N[C@H]12)NCCCCCNC(=O)CCSC(C(=O)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 2/20 0.43
▸ HTR3A P46098 2/20 0.43
▸ CA9 Q16790 8/20 0.42
▸ CA1 P00915 7/20 0.42
▸ CA2 P00918 7/20 0.42
▸ CA12 O43570 5/20 0.42
▸ ITGB1 P05556 1/20 0.42
▸ ITGA4 P13612 1/20 0.42
▸ CA14 Q9ULX7 3/20 0.41
▸ CA7 P43166 1/20 0.41
▸ SLC5A2 P31639 1/20 0.40
▸ FOLH1 Q04609 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ELF3 P78545 1/20 0.40
▸ MED23 Q9ULK4 1/20 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
SCHEMBL9906144 0.98 ALB (0.43) ALBHTR3ACA9CA1CA2
SCHEMBL14426892 0.94 ITGB1 (0.46) ALBHTR3AITGB1ITGA4TDP1
SCHEMBL9906264 0.91 ALB (0.48) ALBSLC5A2FOLH1
SCHEMBL13678641 0.89 ALB (0.48) ALBSLC5A2FOLH1
SCHEMBL9906263 0.89 FOLH1 (0.46) ALBSLC5A2FOLH1
SCHEMBL14619872 0.87 CA9 (0.45) ALBHTR3ACA9CA1CA2
SCHEMBL13678652 0.85 CA9 (0.43) ALBHTR3ACA9CA1CA2
SCHEMBL14426891 0.84 HTRA2 (0.43) ALBITGB1ITGA4SLC5A2FOLH1
SCHEMBL14619873 0.84 FOLH1 (0.43) ALBSLC5A2FOLH1
SCHEMBL25543854 0.83 CA9 (0.50) HTR3ACA9CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673399-B1 DETECTING AND PROFILING MOLECULAR COMPLEXES MONOGRAM BIOSCIENCES INC (US) 2017-04-05 — — EP disclosed
US-8198031-B2 Using epidermal growth factor receptor complexes to diagnose and prognose health in cancer patients; drug screening MONOGRAM BIOSCIENCES, INC. (US) 2012-06-12 — — US disclosed
EP-1540347-B1 DETECTING RECEPTOR OLIGOMERIZATION ACLARA BIOSCIENCES INC (US) 2009-09-09 — — EP disclosed
US-20080233602-A1 Detecting and profiling molecular complexes MONOGRAM BIOSCIENCES, INC. 2008-09-25 — — US disclosed
US-7160735-B2 Tagged microparticle compositions and methods MONOGRAM BIOSCIENCES, INC. (US) 2007-01-09 — — US disclosed
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