SCHEMBL30454833

SCHEMBL30454833

CCOC(=O)C(F)(F)c1cccc(/C(C)=N/[S@+]([O-])C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ POLB P06746 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ACHE P22303 2/20 0.38
▸ CNR2 P34972 4/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ THRB P10828 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
SCHEMBL25077732 1.00 ACSS2 (0.40) ACSS2MEN1KMT2APOLBNPSR1
SCHEMBL29945770 1.00 ACSS2 (0.40) ACSS2MEN1KMT2APOLBNPSR1
SCHEMBL25839658 1.00 ACSS2 (0.40) ACSS2MEN1KMT2APOLBNPSR1
SCHEMBL26375683 1.00 ACSS2 (0.40) ACSS2MEN1KMT2APOLBNPSR1
SCHEMBL31463895 1.00 ACSS2 (0.40) ACSS2MEN1KMT2APOLBNPSR1
SCHEMBL23526213 0.83 MEN1 (0.44) MEN1KMT2APOLBNPSR1ACHE
SCHEMBL23526210 0.83 MEN1 (0.44) MEN1KMT2APOLBNPSR1ACHE
SCHEMBL25415939 0.83 MEN1 (0.44) MEN1KMT2APOLBNPSR1ACHE
SCHEMBL23526211 0.83 MEN1 (0.44) MEN1KMT2APOLBNPSR1ACHE
SCHEMBL30839869 0.81 KMT2A (0.40) MEN1KMT2APOLBNPSR1ACHE

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
WO-2023121413-A1 NOVEL BICYCLIC HETEROCYCLYL COMPOUND AND USE THEREOF 제일약품주식회사 2023-06-29 — — WO disclosed
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