Sugi Predict

Sugi Predict / Compounds / SCHEMBL27149258

SCHEMBL27149258

SCHEMBL27149258

C(OCC1CO1)C1CO1.C=COCCC(C)(O)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.34
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 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
SCHEMBL30712237 0.86 MEN1 (0.31) —
SCHEMBL12804606 0.71 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL27147470 0.71 ALDH1A1 (0.38) ALDH1A1TSHRSMN1; SMN2TDP1TP53
SCHEMBL27173979 0.69 TSHR (0.63) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL3370444 0.69 TSHR (0.69) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL654164 0.69 TSHR (0.56) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL21055880 0.68 ALDH1A1 (0.59) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL27877270 0.68 TSHR (0.64) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL16593524 0.68 TSHR (0.67) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL16593514 0.68 TSHR (0.67) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1

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-2024018902-A1 LAYERED BODY, OPTICAL ARTICLE, LENS, AND SPECTACLES 株式会社トクヤマ 2024-01-25 — — WO disclosed