SCHEMBL17430455

SCHEMBL17430455

O=C1c2cc3c(cc2C(=O)N1c1ccc(N2C(=O)C4Cc5ccccc5CC4C2=O)cc1)CCCC3

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MT-CO2 P00403 4/20 0.43
▸ ALOX5 P09917 4/20 0.43
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ TLR9 Q9NR96 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL17425953 0.92 ALDH1A1 (0.42) MT-CO2ALOX5TSHRALDH1A1ALOX15
SCHEMBL17425969 0.86 TSHR (0.43) MT-CO2ALOX5TSHRALDH1A1LMNA
SCHEMBL17425954 0.82 ESR1 (0.48) TSHRALDH1A1LMNACYP1A2CYP2C9
SCHEMBL17425982 0.82 RAB9A (0.46) MT-CO2ALOX5TSHRLMNAMEN1
SCHEMBL17432772 0.80 ESR1 (0.54) TSHRALDH1A1ALOX15LMNACYP1A2
SCHEMBL17432743 0.77 MEN1 (0.53) MT-CO2ALOX5TSHRALDH1A1ALOX15
SCHEMBL17425973 0.74 ALDH1A1 (0.47) MT-CO2ALOX5ALDH1A1MEN1KMT2A
SCHEMBL17425981 0.74 KDM4E (0.49) ALDH1A1LMNACYP1A2CYP2C9HPGD
SCHEMBL18938223 0.73 MT-CO2 (0.32) MT-CO2ALOX5
SCHEMBL17430459 0.72 CDC25B (0.45) TSHRALDH1A1MEN1KMT2ATLR9

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
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
Send feedback