SCHEMBL21976701

SCHEMBL21976701

CCC(=O)OCC(C)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.51
MTNR1B P49286 4/20 0.51
MAPT P10636 1/20 0.46
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
ELANE P08246 1/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL6560469 0.94 MTNR1A (0.47) MTNR1AMTNR1BMAPTALDH1A1TSHR
SCHEMBL21976742 0.85 MAPT (0.44) MTNR1AMTNR1BMAPTALDH1A1LMNA
SCHEMBL21976704 0.85 MTNR1A (0.53) MTNR1AMTNR1BALDH1A1GAA
SCHEMBL27672907 0.85 MTNR1A (0.39) MTNR1AMTNR1BMAPTALDH1A1TSHR
SCHEMBL27724493 0.84 CYP3A4 (0.45) MTNR1AMTNR1B
SCHEMBL21976717 0.84 ALDH1A1 (0.45) MTNR1AMTNR1BMAPTALDH1A1LMNA
SCHEMBL27570053 0.84 PPARA (0.45) TSHRCYP1A2GAACYP2C9CYP2C19
SCHEMBL27874649 0.84 LMNA (0.40) MTNR1AMTNR1BMAPTALDH1A1TSHR
SCHEMBL19726534 0.83 MTNR1A (0.54) MTNR1AMTNR1BMAPTALDH1A1TSHR
SCHEMBL19726535 0.83 MTNR1A (0.54) MTNR1AMTNR1BMAPTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119529947-A Microcapsule for encapsulating core material and preparation method thereof 广州立白企业集团有限公司 2025-02-28 CN disclosed
CN-119351173-A Microcapsule for encapsulating core material and preparation method thereof 广州立白企业集团有限公司 2025-01-24 CN disclosed
EP-3506754-B1 PICOLINAMIDE N-OXIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC (US) 2023-08-09 EP disclosed
EP-3240419-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-06 EP disclosed