SCHEMBL17425981

SCHEMBL17425981

O=C1c2cc3c(cc2C(=O)N1c1cccc(N2C(=O)c4cc5c(cc4C2=O)CCCC5)c1)CCCC3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ ESR1 P03372 2/20 0.49
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ FAAH O00519 1/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ CDC25B P30305 1/20 0.44
▸ NR1H3 Q13133 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ GAA P10253 2/20 0.43
▸ CASP6 P55212 2/20 0.43
▸ SCN2A Q99250 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL17432772 0.89 ESR1 (0.54) KDM4EPOLBESR1CDC25BNR1H3
SCHEMBL17425954 0.86 ESR1 (0.48) KDM4EPOLBESR1NPC1RAB9A
SCHEMBL17425953 0.84 ALDH1A1 (0.42) KDM4EPOLBESR1NR1H3ALDH1A1
SCHEMBL17430459 0.79 CDC25B (0.45) POLBESR1CDC25BNR1H3ALDH1A1
SCHEMBL725608 0.76 NR1H3 (0.67) ESR1NPC1RAB9AFAAHMGLL
SCHEMBL12898716 0.75 ALDH1A1 (0.56) NR1H3ALDH1A1GAASCN2AMEN1
SCHEMBL17430455 0.74 MT-CO2 (0.43) ESR1RAB9AALDH1A1GAAMEN1
SCHEMBL17425978 0.73 KMT2A (0.55) KDM4EPOLBESR1MGLLNR1H3
SCHEMBL1735146 0.70 ESR1 (0.57) KDM4EPOLBESR1NPC1RAB9A
SCHEMBL9468849 0.70 NPC1 (0.67) KDM4EESR1NPC1RAB9ANR1H3

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 6 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
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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