SCHEMBL20495993

SCHEMBL20495993

C=CCCCCCCn1c(=O)n(CCCCCCC=C)c(=O)n(CCCCCCC=C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 3/20 0.41
ABCC4 O15439 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 4/20 0.39
ADORA2B P29275 3/20 0.36
PDE4A P27815 2/20 0.36
ADORA2A P29274 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GALR3 O60755 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
LPAR3 Q9UBY5 2/20 0.35
LPAR2 Q9HBW0 1/20 0.35

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
SCHEMBL20495994 1.00 CYP3A4 (0.46) CYP3A4NPSR1TSHRABCC4MAPT
SCHEMBL17041949 1.00 CYP3A4 (0.46) CYP3A4NPSR1TSHRABCC4MAPT
SCHEMBL13835669 0.98 CYP3A4 (0.48) CYP3A4NPSR1TSHRABCC4MAPT
SCHEMBL17059124 0.91 CYP3A4 (0.43) CYP3A4NPSR1TSHRABCC4MAPT
SCHEMBL9998956 0.91 CYP3A4 (0.50) CYP3A4NPSR1TSHRABCC4MAPT
SCHEMBL17059116 0.89 CYP3A4 (0.39) CYP3A4NPSR1TSHRABCC4MAPT
SCHEMBL19407022 0.88 TSHR (0.56) CYP3A4TSHRALDH1A1ADORA2BPDE4A
SCHEMBL19155603 0.86 CYP3A4 (0.46) CYP3A4NPSR1TSHRABCC4MAPT
SCHEMBL17059130 0.86 CYP3A4 (0.46) CYP3A4NPSR1TSHRABCC4MAPT
SCHEMBL22700998 0.83 ALDH1A1 (0.44) NPSR1TSHRALDH1A1KMT2A

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
CN-108350146-B Epoxy resin composition containing long-chain alkylene group 日产化学工业株式会社 2021-03-16 CN disclosed
EP-3375804-B1 LONG-CHAIN ALKYLENE GROUP-CONTAINING EPOXY RESIN COMPOSITION NISSAN CHEMICAL CORP (JP) 2020-10-14 EP disclosed
US-10669369-B2 Long-chain alkylene group-containing epoxy resin composition NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2020-06-02 US disclosed
US-20180340040-A1 LONG-CHAIN ALKYLENE GROUP-CONTAINING EPOXY RESIN COMPOSITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-11-29 US disclosed
EP-3375804-A1 LONG-CHAIN ALKYLENE GROUP-CONTAINING EPOXY RESIN COMPOSITION Nissan Chemical Corporation (JP) 2018-09-19 EP disclosed