SCHEMBL30836086

SCHEMBL30836086

CCCOC(=O)C(C(=O)OCCC)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.47
▸ PNMT P11086 1/20 0.47
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ CHRM4 P08173 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ EPHX1 P07099 2/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.43

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
SCHEMBL28452948 1.00 CES2 (0.47) CES2PNMTMEN1KMT2AALDH1A1
SCHEMBL28442375 0.92 FAAH (0.49) CES2PNMTMEN1KMT2AALDH1A1
SCHEMBL28450746 0.89 HDAC3 (0.46) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL1043810 0.88 CES2 (0.49) CES2PNMTMEN1KMT2AALDH1A1
SCHEMBL30836057 0.88 CES2 (0.49) CES2PNMTMEN1KMT2AALDH1A1
SCHEMBL27690520 0.85 PNMT (0.47) CES2PNMTMEN1KMT2AALDH1A1
SCHEMBL30368489 0.82 CES2 (0.51) CES2PNMTMEN1KMT2AALDH1A1
SCHEMBL15018577 0.82 CES2 (0.51) CES2PNMTMEN1KMT2AALDH1A1
SCHEMBL11432112 0.82 EPHX1 (0.52) CES2PNMTMEN1KMT2AALDH1A1
SCHEMBL4750069 0.82 CES2 (0.46) CES2PNMTMEN1KMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4573074-A1 PROCESS FOR THE PREPARATION AND ISOLATION OF INTERMEDIATES OF CERTAIN MESOIONIC PESTICIDES Corteva Agriscience LLC (US) 2025-06-25 — — EP disclosed
WO-2024040111-A1 PROCESS FOR THE PREPARATION AND ISOLATION OF INTERMEDIATES OF CERTAIN MESOIONIC PESTICIDES CORTEVA AGRISCIENCE LLC (US) 2024-02-22 — — WO disclosed
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