SCHEMBL13859625

SCHEMBL13859625

CCC1C=C(C(=O)OC)C(c2ccccc2[N+](=O)[O-])C(C(=O)OC)=C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.57
▸ CACNA1D Q01668 5/20 0.57
▸ KDM4E B2RXH2 5/20 0.57
▸ CACNA1C Q13936 4/20 0.57
▸ HPGD P15428 4/20 0.57
▸ HSD17B10 Q99714 4/20 0.57
▸ ADORA3 P0DMS8 3/20 0.57
▸ CACNA1F O60840 3/20 0.57
▸ CACNA1S Q13698 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ ABCC4 O15439 2/20 0.57
▸ ABCB11 O95342 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ ADORA2A P29274 2/20 0.57
▸ ADORA1 P30542 2/20 0.57
▸ OPRM1 P35372 2/20 0.57
▸ SCN1A P35498 2/20 0.57
▸ HTR2B P41595 2/20 0.57

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
SCHEMBL1357406 0.81 KDM4E (0.60) ALDH1A1CACNA1DKDM4ECACNA1CHPGD
SCHEMBL29446574 0.81 KDM4E (0.60) ALDH1A1CACNA1DKDM4ECACNA1CHPGD
SCHEMBL3760266 0.81 ALDH1A1 (0.64) ALDH1A1CACNA1DKDM4ECACNA1CHPGD
SCHEMBL14365396 0.81 MAPT (0.49) ALDH1A1CACNA1DKDM4ECACNA1CHPGD
SCHEMBL30849083 0.80 ALDH1A1 (0.58) ALDH1A1CACNA1DKDM4ECACNA1CHPGD
SCHEMBL1719572 0.80 ALDH1A1 (0.58) ALDH1A1CACNA1DKDM4ECACNA1CHPGD
SCHEMBL30186935 0.80 KDM4E (0.64) ALDH1A1CACNA1DKDM4ECACNA1CHPGD
SCHEMBL1720223 0.80 KDM4E (0.64) ALDH1A1CACNA1DKDM4ECACNA1CHPGD
SCHEMBL1673056 0.78 ALDH1A1 (0.52) ALDH1A1CACNA1DKDM4ECACNA1CHPGD
SCHEMBL6833256 0.77 ALDH1A1 (0.54) ALDH1A1CACNA1DKDM4ECACNA1CHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541099-B2 Heat-resistant resin NITTO DENKO CORPORATION (JP) 2013-09-24 — — US disclosed
US-8541099-B2 Heat-resistant resin NITTO DENKO CORPORATION (JP) 2013-09-24 — — US disclosed
US-20090130432-A1 HEAT-RESISTANT RESIN NITTO DENKO CORPORATION 2009-05-21 — — US disclosed
US-20070293597-A1 Heat-Resistant Resin NITTO DENKO CORPORATION (JP) 2007-12-20 — — US disclosed
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