SCHEMBL15078258

SCHEMBL15078258

C=CC(=O)OCCNC(=O)OC1CCC2CC1OC2=O

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.31
ALDH1A1 P00352 3/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ELANE P08246 1/20 0.31
CTSG P08311 1/20 0.31
BCHE P06276 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
SCHEMBL15078263 0.84 BCHE (0.32) ALDH1A1BCHE
SCHEMBL1697127 0.82 TSHR (0.33) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL15078264 0.82
SCHEMBL686179 0.81
SCHEMBL685690 0.81 TSHR (0.31) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL15078380 0.81 ALDH1A1 (0.31) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12840776 0.80 TSHR (0.31) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL15078288 0.77 TSHR (0.34) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL20473724 0.76 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL20473722 0.76 TSHR (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9152042-B2 Acrylic ester derivative, high-molecular compound and photoresist composition KURARAY CO., LTD. (JP) 2015-10-06 US disclosed
US-20130164675-A1 ACRYLIC ESTER DERIVATIVE, HIGH-MOLECULAR COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2013-06-27 US disclosed