SCHEMBL18938223

SCHEMBL18938223

CC(C)(CC(C)(C)N1C(=O)C2Cc3ccccc3CC2C1=O)N1C(=O)c2cc3c(cc2C1=O)CCCC3

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MT-CO2 P00403 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ ACHE P22303 1/20 0.31
▸ CDC25B P30305 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ HTR2B P41595 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL18938250 0.84 TSHR (0.37) ACHE
SCHEMBL18938254 0.81 CDC25B (0.41) CDC25B
SCHEMBL17425969 0.73 TSHR (0.43) MT-CO2ALOX5CDC25B
SCHEMBL17430455 0.73 MT-CO2 (0.43) MT-CO2ALOX5
SCHEMBL17425953 0.71 ALDH1A1 (0.42) MT-CO2ALOX5
SCHEMBL18923989 0.67 HTR3B (0.39) ACHE
SCHEMBL17356841 0.64 ALDH1A1 (0.43) MT-CO2ALOX5ACHESIGMAR1
SCHEMBL18754564 0.62 ACHE (0.46) ACHE
SCHEMBL23222939 0.61 ALDH1A1 (0.42) ACHE
SCHEMBL17430459 0.61 CDC25B (0.45) CDC25B

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-2965809-B1 OXYGEN ABSORBER COMPOSITION, AND MOLDED BODY AND PACKAGE EACH USING SAME MITSUBISHI GAS CHEMICAL CO (JP) 2017-06-07 — — EP disclosed
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