SCHEMBL29942887

SCHEMBL29942887

C=CC(=O)OCCCCCC(C)C.CCC=C(CCCCCC)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HCAR2 Q8TDS4 3/20 0.41
▸ MAPT P10636 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ APEX1 P27695 1/20 0.33
▸ NAAA Q02083 1/20 0.33

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
SCHEMBL20448165 0.92 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL31727304 0.89 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4HCAR2
Dodecanoate SCHEMBL27877455 0.85 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4HCAR2
Palmitic Acid SCHEMBL27607321 0.85 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4HCAR2
Stearic Acid SCHEMBL27502388 0.85 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4HCAR2
Decanoic Acid SCHEMBL27643508 0.85 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4HCAR2
Myristic Acid SCHEMBL27487027 0.85 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL29943151 0.85 TSHR (0.55) TSHRHCAR2FFAR4FFAR1APEX1
SCHEMBL31621131 0.85 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL3190479 0.85 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2

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-113130113-B Conductive material composition and conductive material prepared from same 财团法人工业技术研究院 2022-10-28 — — CN disclosed
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