SCHEMBL17425969

SCHEMBL17425969

O=C1c2cc3c(cc2C(=O)N1c1ccccc1N1C(=O)C2Cc4ccccc4CC2C1=O)CCCC3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MT-CO2 P00403 3/20 0.37
▸ ALOX5 P09917 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ CDC25B P30305 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 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
SCHEMBL17430455 0.86 MT-CO2 (0.43) TSHRALDH1A1PKMHPGDMT-CO2
SCHEMBL17430459 0.85 CDC25B (0.45) TSHRALDH1A1KMT2ACDC25BCASP3
SCHEMBL17425953 0.84 ALDH1A1 (0.42) TSHRALDH1A1HSD17B10MT-CO2ALOX5
SCHEMBL17425986 0.82 TSHR (0.54) TSHRALDH1A1MAPTPKMHPGD
SCHEMBL17425978 0.75 KMT2A (0.55) TSHRALDH1A1MAPTHPGDALOX5
SCHEMBL18938223 0.73 MT-CO2 (0.32) MT-CO2ALOX5CDC25B
SCHEMBL17432772 0.71 ESR1 (0.54) TSHRALDH1A1MAPTPKMHPGD
SCHEMBL17425982 0.68 RAB9A (0.46) TSHRMT-CO2ALOX5LMNAKMT2A
SCHEMBL17425954 0.68 ESR1 (0.48) TSHRALDH1A1HPGDHSD17B10LMNA
SCHEMBL17425973 0.67 ALDH1A1 (0.47) ALDH1A1HSD17B10MT-CO2ALOX5SMN1; SMN2

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 5 patents. 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
US-9670408-B2 Oxygen absorbent composition and molded body and package using the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2017-06-06 — — US disclosed
US-9670408-B2 Oxygen absorbent composition and molded body and package using the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2017-06-06 — — US disclosed
US-20160009993-A1 OXYGEN ABSORBENT COMPOSITION AND MOLDED BODY AND PACKAGE USING THE SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-01-14 — — US disclosed
EP-2965809-A1 OXYGEN ABSORBER COMPOSITION, AND MOLDED BODY AND PACKAGE EACH USING SAME Mitsubishi Gas Chemical Company, Inc. (JP) 2016-01-13 — — EP disclosed
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