SCHEMBL22474225

SCHEMBL22474225

CCC(=O)OC(C)C(OCC(C)C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ RAB9A P51151 1/20 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
▸ FFAR1 O14842 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ GPR88 Q9GZN0 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ PKM P14618 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
SCHEMBL22474221 1.00 TSHR (0.39) TSHRALDH1A1RAB9ACYP2D6SLC6A2
SCHEMBL22474226 0.85 LMNA (0.39) TSHRALDH1A1CYP2D6SLC6A2SLC6A4
SCHEMBL22474203 0.83 CYP3A4 (0.47) TSHRALDH1A1KMT2AMEN1HCAR2
SCHEMBL17900768 0.82 ALDH1A1 (0.41) TSHRALDH1A1RAB9ACYP2D6KMT2A
SCHEMBL17900767 0.82 ALDH1A1 (0.41) TSHRALDH1A1RAB9ACYP2D6KMT2A
SCHEMBL22474334 0.80 GPR88 (0.40) GPR88
SCHEMBL22474290 0.80 MTNR1A (0.42) TSHRALDH1A1FFAR1KMT2AMEN1
SCHEMBL1081846 0.79 TSHR (0.43) TSHRALDH1A1KMT2AMEN1HCAR2
SCHEMBL20145303 0.79 TSHR (0.43) TSHRALDH1A1KMT2AMEN1HCAR2
SCHEMBL27594658 0.78 ALDH1A1 (0.43) TSHRALDH1A1CYP2D6KMT2ALMNA

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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