SCHEMBL506449

SCHEMBL506449

C=CC(=O)OC(=O)C(=C)Cl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.34
ALDH1A1 P00352 4/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 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
SCHEMBL5144521 0.81 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL506212 0.80 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27179211 0.79 LMNA (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL58015 0.79
SCHEMBL506448 0.78 HSD17B10 (0.33) ALDH1A1HSD17B10
SCHEMBL27627055 0.77 TSHR (0.36) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29245860 0.76 TSHR (0.39) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28105228 0.76
SCHEMBL29187168 0.75 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL65009 0.75 ALDH1A1 (0.46) TSHRALDH1A1TP53HIF1ACYP3A4

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
US-20120029089-A1 PREPARING BIODEGRADABLE HYDROGEL FOR BIOMEDICAL APPLICATION CORNELL UNIVERSITY 2012-02-02 US disclosed
WO-2010083039-A9 PREPARING BIODGRADABLE HYDROGEL FOR BIOMEDICAL APPLICATION CORNELL UNIVERSITY (US) 2011-06-03 WO disclosed
WO-2010083039-A1 PREPARING BIODGRADABLE HYDROGEL FOR BIOMEDICAL APPLICATION CORNELL UNIVERSITY (US) 2010-07-22 WO disclosed
US-3935342-A POLYMERIZATION WITH AN UNSATURATED SILYL MONOMER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-27 US disclosed