SCHEMBL1341004

SCHEMBL1341004

C=CC(=O)OCCOC(=O)C(C)(C)Cl

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.55
ALDH1A1 P00352 4/20 0.55
TP53 P04637 3/20 0.55
HIF1A Q16665 3/20 0.55
HSD17B10 Q99714 1/20 0.55
THRB P10828 3/20 0.54
CYP3A4 P08684 2/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.31

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
SCHEMBL11682519 0.84 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL6757193 0.83 POLB (0.33) TSHRALDH1A1THRB
SCHEMBL18892951 0.81 TSHR (0.55) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9853301 0.81 TSHR (0.55) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL17445919 0.81 TSHR (0.55) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1341185 0.81 TSHR (0.55) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL22540964 0.79 TSHR (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL749916 0.79 THRB (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL30604742 0.78 TSHR (0.84) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL93462 0.78 TSHR (0.84) TSHRALDH1A1TP53HIF1AHSD17B10

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
CN-108864385-B Preparation method of polymer brush containing precise modification sites 上海交通大学 2020-08-04 CN claimed
US-8062751-B2 Low biofouling filtration membranes and their forming method CHUNG YUAN CHRISTIAN UNIVERSITY (TW) 2011-11-22 US claimed