Sugi Predict

Sugi Predict / Compounds / SCHEMBL23045264

SCHEMBL23045264

SCHEMBL23045264

C=C(C(=O)OCCCCCC)C(O)C(=O)OCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.61
▸ NAAA Q02083 1/20 0.47
▸ RAD52 P43351 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ EPHX1 P07099 1/20 0.44
▸ HCAR2 Q8TDS4 1/20 0.41
▸ FAAH O00519 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ACHE P22303 5/20 0.40

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
SCHEMBL10652696 0.93 TSHR (0.50) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL9222382 0.83 NAAA (0.59) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL1563318 0.83 TSHR (0.61) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL27626357 0.82 TSHR (0.65) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL27646716 0.82 TSHR (0.65) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL1069127 0.82 TSHR (0.65) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL27646544 0.82 TSHR (0.65) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL13266339 0.82 TSHR (0.65) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL10954723 0.81 TSHR (0.59) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL21638809 0.81 TSHR (0.59) TSHRNAAARAD52NPSR1EPHX1

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
WO-2021039799-A1 CURABLE COMPOSITION 株式会社日本触媒 2021-03-04 — — WO disclosed