SCHEMBL22474209

SCHEMBL22474209

CCC(=O)OC(C)[C@@H](Oc1ccc(Cl)cc1Cl)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MAPT P10636 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ RORC P51449 2/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ ALOX12 P18054 1/20 0.42

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
SCHEMBL17900769 0.84 PPARA (0.48) PPARASMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL17900663 0.84 PPARA (0.48) PPARASMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL21986105 0.79 SMN1; SMN2 (0.50) PPARASMN1; SMN2MAPTL3MBTL1LMNA
SCHEMBL22474290 0.77 MTNR1A (0.42) MAPTMEN1LMNAKMT2AFFAR1
SCHEMBL17900537 0.77 KDM4E (0.45) PPARASMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL17900707 0.77 KDM4E (0.45) PPARASMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL5402397 0.76 NOS2 (0.51) PPARASMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL22474203 0.74 CYP3A4 (0.47) MEN1LMNAKMT2AHPGDALDH1A1
SCHEMBL17900631 0.74 RORC (0.43) PPARAMAPTL3MBTL1MEN1LMNA
SCHEMBL9799896 0.74 L3MBTL1 (0.55) SMN1; SMN2MAPTL3MBTL1MEN1KMT2A

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
EP-3255991-B1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2020-09-30 — — EP disclosed
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