SCHEMBL28051179

SCHEMBL28051179

C=CC(=O)OC(C)(C)C.C=CC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.39
ALDH1A1 P00352 7/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.38
DGAT1 O75907 1/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 2/20 0.35
LMNA P02545 1/20 0.33
FGFR4 P22455 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
USP2 O75604 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
SCHEMBL30658 1.00
Hydrochloric Acid SCHEMBL28210230 0.97 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
Ammonia Solution, Strong SCHEMBL1707597 0.97 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28190076 0.97 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL31210190 0.97 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29167478 0.97 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
Phosphine SCHEMBL28845129 0.97 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
Ammonia Solution, Strong SCHEMBL1020874 0.97 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28881367 0.97 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
Hydrochloric Acid SCHEMBL27594117 0.97 TSHR (0.38) 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
CN-108031452-A Porous adsorbent that surface is expressed by polycarboxylic acid and its preparation method and application 同济大学 2018-05-15 CN disclosed
CN-102361948-B Binder composition NIPPON CARBIDE INDUSTRIES CO.,INC. (JP) 2016-01-06 CN disclosed