SCHEMBL21976754

SCHEMBL21976754

CCC(=O)OC(CC)C(C)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
MAPT P10636 2/20 0.43
ELANE P08246 1/20 0.40
TSHR P16473 3/20 0.39
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 3/20 0.38
ESR1 P03372 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR2 P34972 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL21976900 0.88 MTNR1A (0.43) MTNR1AMTNR1BMAPTELANETSHR
SCHEMBL21976734 0.87 PPARG (0.46) TSHR
SCHEMBL21976759 0.87 LMNA (0.46) MTNR1AMTNR1BMAPTLMNAL3MBTL1
SCHEMBL21976920 0.85 MTNR1A (0.45) MTNR1AMTNR1BMAPTELANETSHR
SCHEMBL21976703 0.84 ALDH1A1 (0.44) MTNR1AMTNR1BMAPTALDH1A1MEN1
SCHEMBL17901361 0.82 MAPT (0.45) MTNR1AMTNR1BMAPTTSHRCYP1A2
SCHEMBL21976898 0.82 MAPT (0.42) MTNR1AMTNR1BMAPTELANETSHR
SCHEMBL17901110 0.82 MAPT (0.45) MTNR1AMTNR1BMAPTTSHRCYP1A2
SCHEMBL17901317 0.82 MAPT (0.45) MTNR1AMTNR1BMAPTTSHRCYP1A2
SCHEMBL17901314 0.82 MAPT (0.45) MTNR1AMTNR1BMAPTTSHRCYP1A2

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-3240419-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-06 EP disclosed