SCHEMBL28050153

SCHEMBL28050153

C=C(C)C(=O)OC(C)NCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 4/20 0.40
EGLN1 Q9GZT9 2/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PTGS2 P35354 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.32
CTH P32929 1/20 0.31
TGFBR1 P36897 1/20 0.31
ECE1 P42892 1/20 0.30
CYP2D6 P10635 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6264346 0.87 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL5576920 0.85 TSHR (0.44) TSHRALDH1A1THRBTGFBR1
SCHEMBL246672 0.81 TSHR (0.44) TSHRALDH1A1THRB
SCHEMBL3280963 0.79 TSHR (0.47) TSHRALDH1A1THRBCYP2D6
SCHEMBL28964247 0.79 TSHR (0.42) TSHRALDH1A1THRB
Hydrochloric Acid SCHEMBL23116685 0.79 TSHR (0.42) TSHRALDH1A1THRB
Ammonia Solution, Strong SCHEMBL7765025 0.79 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL7181452 0.78 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL556918 0.78 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL27552259 0.78 TSHR (0.41) TSHRALDH1A1THRBTGFBR1

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-105640798-A Ionic/ionogenic comb copolymer compositions and personal care products containing same 气体产品与化学公司 2016-06-08 CN disclosed
CN-103717628-B Ionic/ionogenic comb copolymer compositions and personal care products containing the same AIR PRODUCTS AND CHEMICALS, INC. (US) 2016-02-03 CN disclosed