SCHEMBL6449482

SCHEMBL6449482

C=COCCOC(=O)C(C)(C)Br

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TP53 P04637 2/20 0.32
TSHR P16473 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 1/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL12284725 0.90 THRB (0.30) THRB
SCHEMBL22040828 0.85
SCHEMBL24179933 0.84 TSHR (0.31) TSHR
SCHEMBL8125829 0.84 POLB (0.39) POLBGAANPSR1ALDH1A1TP53
SCHEMBL19263775 0.84 THRB (0.30) THRB
SCHEMBL36866 0.83 POLB (0.41) POLBGAANPSR1ALDH1A1TSHR
SCHEMBL17445920 0.81 ALDH1A1 (0.32) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL1341185 0.81 TSHR (0.55) POLBGAANPSR1ALDH1A1TP53
SCHEMBL4608266 0.79 TSHR (0.44) POLBGAANPSR1ALDH1A1TP53
SCHEMBL10056774 0.79 THRB (0.38) ALDH1A1TP53TSHRHIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113543-A1 Alpha, omega-allyl terminated linear poly(methacrylic acid) macromonomers for end-linked hydrogels and method of preparation MORNINGSIDE, COLUMBIA UNIVERSITY OF NY 2005-05-26 US disclosed
WO-2003101934-A1 α,φ-ALLYL TERMINATED LINEAR POLY(METHACRYLIC ACID) MACROMONOMERS FOR END-LINKED HYDROGELS AND METHOD OF PREPARATION THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2003-12-11 WO disclosed