SCHEMBL22474226

SCHEMBL22474226

CCCOC(c1ccccc1)C(C)OC(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ GPR88 Q9GZN0 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP2D6 P10635 2/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ ASAH1 Q13510 1/20 0.36
▸ ACER2 Q5QJU3 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 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
SCHEMBL22474225 0.85 TSHR (0.39) LMNAMEN1KMT2ATSHRGPR88
SCHEMBL22474221 0.85 TSHR (0.39) LMNAMEN1KMT2ATSHRGPR88
SCHEMBL22474203 0.83 CYP3A4 (0.47) LMNAMEN1KMT2ATSHRALDH1A1
SCHEMBL22474334 0.80 GPR88 (0.40) POLBGPR88
SCHEMBL22474290 0.80 MTNR1A (0.42) LMNAMEN1KMT2ATSHRALDH1A1
SCHEMBL1081846 0.79 TSHR (0.43) LMNAMEN1KMT2ATSHRALDH1A1
SCHEMBL20145303 0.79 TSHR (0.43) LMNAMEN1KMT2ATSHRALDH1A1
SCHEMBL29277742 0.78 HTT (0.43) LMNAMEN1KMT2ATSHRCYP2D6
SCHEMBL18312620 0.78 HTT (0.43) LMNAMEN1KMT2ATSHRCYP2D6
SCHEMBL22041415 0.77 KMT2A (0.45) LMNAMEN1KMT2APOLBTSHR

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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