SCHEMBL28082606

SCHEMBL28082606

C=CC(=O)OC(C)COCCOP(=O)(O)OP(=O)(O)O.[NaH].[NaH].[NaH]

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 3/20 0.40
MVD P53602 4/20 0.36
TSHR P16473 3/20 0.34
FNTA P49354 3/20 0.33
FNTB P49356 3/20 0.33
PGGT1B P53609 2/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 1/20 0.33
GGPS1 O95749 2/20 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
SCHEMBL6673980 0.86 BTN3A1 (0.40) BTN3A1MVDTSHRFNTAFNTB
SCHEMBL13449231 0.81 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL21496235 0.81 BTN3A1 (0.42) BTN3A1MVDTSHRFNTAFNTB
SCHEMBL3175239 0.80 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12358336 0.78 TSHR (0.43) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL27055217 0.77 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL31055781 0.77 TSHR (0.44) TSHRLPAR1LPAR3
SCHEMBL288371 0.77 TSHR (0.44) TSHRLPAR1LPAR3
SCHEMBL7878849 0.77 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL27040300 0.75 TSHR (0.43) TSHRLPAR1LPAR3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105814092-A Composition for hydrophilic cured product 三井化学株式会社 2016-07-27 CN disclosed