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Sugi Predict / Compounds / SCHEMBL26501540

SCHEMBL26501540

SCHEMBL26501540

C=C(C)C(=O)OCCNC(=O)OCCCCCN1C(=O)C(=C)CC(C)(C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.36
▸ HTT P42858 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ACHE P22303 12/20 0.34
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL26501534 0.96 TSHR (0.33) TSHRHTTPOLBAPEX1TDP1
SCHEMBL24410513 0.81 — —
SCHEMBL26501739 0.81 TSHR (0.35) TSHRHTTPOLBAPEX1TDP1
SCHEMBL26501827 0.78 — —
SCHEMBL10057618 0.75 TSHR (0.61) TSHRHTTPOLBAPEX1TDP1
SCHEMBL275243 0.75 TSHR (0.61) TSHRHTTPOLBAPEX1TDP1
SCHEMBL26501527 0.74 KDM4E (0.34) TSHR
SCHEMBL26501530 0.74 KDM4E (0.34) TSHR
SCHEMBL14368843 0.74 TSHR (0.58) TSHRHTTPOLBAPEX1TDP1
SCHEMBL26501544 0.74 HTR1A (0.33) HTTHPGDSMN1; SMN2

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
US-20230323151-A1 IMIDE ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2023-10-12 — — US disclosed
US-20230323151-A1 IMIDE ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2023-10-12 — — US disclosed