SCHEMBL28237169

SCHEMBL28237169

C=CC(=O)OP(=O)(O)OCCCO.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 2/20 0.37
LPAR2 Q9HBW0 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
HPGD P15428 1/20 0.34
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL27722468 0.98 TSHR (0.42) TSHRALDH1A1CYP3A4LPAR2LPAR3
SCHEMBL28176947 0.93 TSHR (0.41) TSHRALDH1A1CYP3A4LPAR2LPAR3
SCHEMBL93378 0.87 TSHR (0.50) TSHRALDH1A1CYP3A4LPAR2LPAR3
SCHEMBL28186307 0.86 TSHR (0.48) TSHRALDH1A1CYP3A4LPAR2LPAR3
SCHEMBL27507990 0.83 TSHR (0.55) TSHRALDH1A1CYP3A4LPAR2LPAR3
Acrylamide SCHEMBL28209416 0.81 TSHR (0.44) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28109970 0.81 TSHR (0.40) TSHRALDH1A1CYP3A4LPAR2LPAR3
SCHEMBL28200930 0.80 LPAR3 (0.53) TSHRALDH1A1CYP3A4LPAR2LPAR3
SCHEMBL27821410 0.80 TSHR (0.39) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28433337 0.79 TSHR (0.53) TSHRALDH1A1CYP3A4LPAR2LPAR3

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-108853607-A A kind of insulin needle surface siliconization inorganic agent 广州市爱创医疗科技有限公司 2018-11-23 CN disclosed
CN-108473484-A Compounds useful as TRPM8 modulators 赛诺米克斯公司 2018-08-31 CN disclosed