SCHEMBL29026124

SCHEMBL29026124

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.39
HPGD P15428 1/20 0.36
PRKCA P17252 1/20 0.33
PRKCD Q05655 1/20 0.33
ABCB1 P08183 1/20 0.33
FAAH O00519 1/20 0.33
CTSK P43235 1/20 0.32
THRB P10828 1/20 0.32
MAPT P10636 2/20 0.31
TRPA1 O75762 1/20 0.31
DDAH1 O94760 1/20 0.31
GAPDH P04406 1/20 0.31
GPR84 Q9NQS5 3/20 0.30
FFAR1 O14842 1/20 0.30
CA1 P00915 1/20 0.30
GLS2 Q9UI32 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
SCHEMBL29362857 0.92 TSHR (0.42) TSHRHPGDPRKCAPRKCDFAAH
SCHEMBL5336277 0.87 ALDH1A1 (0.41) TSHRHPGDPRKCAPRKCDABCB1
SCHEMBL8620233 0.86 TSHR (0.44) TSHRHPGDPRKCAPRKCDFAAH
Methacrylic Acid SCHEMBL16932495 0.85 TSHR (0.43) TSHRHPGDPRKCAPRKCDFAAH
SCHEMBL8501557 0.85 TSHR (0.51) TSHRHPGDPRKCAPRKCDABCB1
SCHEMBL16008 0.85 TSHR (0.50) TSHRHPGDPRKCAPRKCDCTSK
SCHEMBL9186055 0.85 TSHR (0.54) TSHRHPGDPRKCAPRKCDFAAH
Acrylic Acid SCHEMBL8019011 0.84 TSHR (0.42) TSHRHPGDPRKCAPRKCDFAAH
SCHEMBL5477404 0.84 TSHR (0.60) TSHRHPGDFAAHTHRB
Methacrylic Acid SCHEMBL11217872 0.84 TSHR (0.38) TSHRHPGDPRKCAPRKCDABCB1

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-116348085-A Branched chain amino acid surfactants for personal care and cosmetic products 艾德凡斯化学公司 2023-06-27 CN disclosed
CN-115515557-A Surfactants for personal care and cosmetic products 艾德凡斯化学公司 2022-12-23 CN disclosed