SCHEMBL6705785

SCHEMBL6705785

C=C(C)C(=O)NC(CCC)(C(=O)O)[N+](C)(C(=O)O)C(=O)O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.30

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
SCHEMBL7619715 0.76
SCHEMBL10489506 0.71 TGFBR1 (0.34) TGFBR1
SCHEMBL6232119 0.69 ALDH1A1 (0.52) TGFBR1
SCHEMBL5109283 0.68 TGFBR1 (0.32) TGFBR1
Hydrochloric Acid SCHEMBL9470194 0.68 ALDH1A1 (0.33)
SCHEMBL25685606 0.65 TGFBR1 (0.34) TGFBR1
SCHEMBL27453096 0.65 ALDH1A1 (0.35) TGFBR1
SCHEMBL2392745 0.64 TGFBR1 (0.40) TGFBR1
SCHEMBL10489514 0.64 TGFBR1 (0.36) TGFBR1
Phosphonic Acid SCHEMBL2555780 0.64 ALDH1A1 (0.46) TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004076511-A2 PHOTOCROSSLINKED HYDROGEL SURFACE COATINGS CIPHERGEN BIOSYSTEMS, INC. (US) 2004-09-10 WO disclosed
EP-1354203-A2 BIOMARKERS OF TRANSITIONAL CELL CARCINOMA OF THE BLADDER Eastern Virginia Medical School (US) 2003-10-22 EP disclosed
WO-2002027329-A2 BIOMARKERS OF TRANSITIONAL CELL CARCINOMA OF THE BLADDER EASTERN VIRGINIA MEDICAL SCHOOL (US) 2002-04-04 WO disclosed