SCHEMBL21976887

SCHEMBL21976887

CCC(=O)OC(C1CC1)C(C)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GHSR Q92847 1/20 0.36
▸ FFAR1 O14842 1/20 0.35

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
SCHEMBL21976712 0.95 LMNA (0.40) MEN1ALDH1A1KMT2ATSHRNPC1
SCHEMBL21976725 0.93 LMNA (0.41) MEN1ALDH1A1KMT2ATSHRNPC1
SCHEMBL17901247 0.81 METAP2 (0.36) MEN1ALDH1A1KMT2ATSHRMTNR1A
SCHEMBL21976920 0.81 MTNR1A (0.45) MEN1ALDH1A1KMT2ATSHRMTNR1A
SCHEMBL21976754 0.77 MTNR1A (0.45) MEN1ALDH1A1KMT2ATSHRMTNR1A
SCHEMBL17901132 0.76 METAP2 (0.43) MEN1ALDH1A1KMT2ATSHRNPC1
SCHEMBL20682901 0.76 METAP2 (0.43) MEN1ALDH1A1KMT2ATSHRNPC1
SCHEMBL17901133 0.76 METAP2 (0.43) MEN1ALDH1A1KMT2ATSHRNPC1
SCHEMBL974817 0.76 MTNR1A (0.46) MEN1ALDH1A1KMT2ATSHRMTNR1A
SCHEMBL17901244 0.75 METAP2 (0.45) MEN1ALDH1A1KMT2ATSHRNPC1

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
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