SCHEMBL21985432

SCHEMBL21985432

CCC(C)CO[C@H](c1ccccc1)[C@H](C)OC(=O)[C@H](C)N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.43
▸ MAPT P10636 1/20 0.40
▸ GPR88 Q9GZN0 6/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KLK7 P49862 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KIF11 P52732 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL17900767 0.88 ALDH1A1 (0.41) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL17900768 0.88 ALDH1A1 (0.41) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL17900617 0.78 PTGIR (0.40) GPR88CYP1A2CYP2D6
SCHEMBL17901393 0.77 HKDC1 (0.41) MAPTCYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL17900619 0.76 ALOX5 (0.39) FFAR1MAPTCYP1A2PKMATM
SCHEMBL17900661 0.76 ALOX5 (0.39) FFAR1MAPTCYP1A2PKMATM
SCHEMBL17900618 0.76 ALOX5 (0.39) FFAR1MAPTCYP1A2PKMATM
SCHEMBL20348320 0.75 KLK7 (0.38) MAPTCYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL21339269 0.74 KMT2A (0.43) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1
SCHEMBL17902366 0.74 KMT2A (0.43) CYP1A2CYP2D6PKMSMN1; SMN2NPSR1

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-3240413-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-13 — — EP disclosed
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