SCHEMBL28678561

SCHEMBL28678561

C=CC(CCCC=CC)OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
PTGS1 P23219 1/20 0.35
GALR3 O60755 1/20 0.33
PDE4D Q08499 4/20 0.32
TRPV1 Q8NER1 2/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
PRKCA P17252 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL1142199 0.90 USP2 (0.36) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL4834776 0.84 ALDH1A1 (0.43) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL18342537 0.79 MAPT (0.49) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL27545815 0.79 TSHR (0.41) ALDH1A1HPGDPRKCA
SCHEMBL28202021 0.79 GRIK1 (0.33) USP2CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL15689848 0.77 FAAH (0.39) GALR3ALDH1A1PRKCA
SCHEMBL15645172 0.77 FAAH (0.39) GALR3ALDH1A1PRKCA
SCHEMBL111270 0.77 FAAH (0.39) GALR3ALDH1A1PRKCA
SCHEMBL27932297 0.77 ALDH1A1 (0.46) LMNAPDE4DALDH1A1
SCHEMBL10597517 0.77 ABCC4 (0.43) MAPTLMNAALDH1A1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114031630-A Synthesis method of spiro thiophene sulfonamide compound 福州大学 2022-02-11 CN claimed
CN-114031630-A Synthesis method of spiro thiophene sulfonamide compound 福州大学 2022-02-11 CN disclosed
CN-114031630-A Synthesis method of spiro thiophene sulfonamide compound 福州大学 2022-02-11 CN disclosed