SCHEMBL30849360

SCHEMBL30849360

CCCCCc1ccc2c(c1CCCCC)C(=O)c1ccccc1C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.56
CTSG P08311 5/20 0.56
PTPN1 P18031 1/20 0.47
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
HBB P68871 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
SLC37A4 O43826 1/20 0.41
NSD2 O96028 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL28256775 0.95 ELANE (0.55) ELANECTSGPTPN1ALDH1A1MAPK1
SCHEMBL1053183 0.87 ELANE (0.56) ELANECTSGPTPN1NR1H2NR1H3
SCHEMBL17294103 0.86 ALDH1A1 (0.53) ELANECTSGPTPN1ALDH1A1MAPK1
SCHEMBL10894897 0.84 ELANE (0.54) ELANECTSGPTPN1NR1H2NR1H3
SCHEMBL28056451 0.84 ELANE (0.58) ELANECTSGPTPN1NR1H2NR1H3
SCHEMBL17294122 0.84 ELANE (0.43) ELANECTSGALDH1A1MAPK1L3MBTL1
SCHEMBL11792659 0.84 MAOA (0.53) ELANECTSGPTPN1ALDH1A1MAPK1
SCHEMBL30389447 0.83 ELANE (0.56) ELANECTSGPTPN1NR1H2NR1H3
SCHEMBL486105 0.83 ELANE (0.56) ELANECTSGPTPN1NR1H2NR1H3
Anthraquinone SCHEMBL27877074 0.83 ELANE (0.56) ELANECTSGPTPN1NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059990-A1 METHODS AND APPARATUS FOR INDIRECT PRODUCTION OF HYDROGEN PEROXIDE USING AMYL-ANTHRAQUINONE FOR HYDROGEN TRANSPORT THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2024-03-28 WO disclosed