SCHEMBL17425954

SCHEMBL17425954

O=C1c2cc3c(cc2C(=O)N1c1ccc(N2C(=O)c4cc5c(cc4C2=O)CCCC5)cc1)CCCC3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.48
▸ ESR2 Q92731 2/20 0.48
▸ CDC25B P30305 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CA9 Q16790 4/20 0.43
▸ CA12 O43570 3/20 0.43
▸ CA1 P00915 3/20 0.43

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 0.90 ESR1 (0.54) ESR1CDC25BALDH1A1POLBCYP1A2
SCHEMBL17425981 0.86 KDM4E (0.49) ESR1CDC25BALDH1A1POLBCYP1A2
SCHEMBL17430455 0.82 MT-CO2 (0.43) ESR1ALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL17430459 0.80 CDC25B (0.45) ESR1ESR2CDC25BALDH1A1POLB
SCHEMBL12898716 0.76 ALDH1A1 (0.56) ALDH1A1CYP1A2HPGDCYP2C19MAPK1
SCHEMBL17425978 0.73 KMT2A (0.55) ESR1ESR2ALDH1A1POLBHPGD
SCHEMBL17425953 0.73 ALDH1A1 (0.42) ESR1ALDH1A1POLBKDM4ETDP1
SCHEMBL17356842 0.72 CDC25B (0.50) CDC25BALDH1A1KDM4EMAPK1TSHR
SCHEMBL23379732 0.70 ALDH1A1 (0.48) CDC25BALDH1A1HPGDKDM4EMAPK1
SCHEMBL16939654 0.69 CDC25B (0.64) ESR1ESR2CDC25BALDH1A1KDM4E

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
Send feedback