SCHEMBL28446133

SCHEMBL28446133

CC(C)c1c(Cc2ccccc2)cc2c(c1C(C)C)C(=O)c1ccccc1C2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.51
MAOB P27338 3/20 0.46
P2RY4 P51582 2/20 0.41
P2RY12 Q9H244 1/20 0.41
CTSG P08311 1/20 0.41
LDHA P00338 1/20 0.40
LDHB P07195 1/20 0.40
MAPK1 P28482 3/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
CASP3 P42574 1/20 0.40
HBB P68871 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL27847287 0.77 ELANE (0.57) ELANEMAOBCTSGMAPK1NPC1
SCHEMBL28445749 0.74 MCL1 (0.43) ELANEMAOBMAPK1NPC1ALDH1A1
SCHEMBL27486561 0.74 ELANE (0.68) ELANEMAOBP2RY4P2RY12CTSG
SCHEMBL13935793 0.73 ELANE (0.67) ELANEMAOBCTSGMAPK1NPC1
SCHEMBL13655628 0.73 MAOB (0.54) ELANEMAOBP2RY4P2RY12MAPK1
SCHEMBL2869740 0.73 ELANE (0.66) ELANEMAOBCTSGMAPK1ALDH1A1
SCHEMBL2127216 0.72 ELANE (0.69) ELANEMAOBCTSGMAPK1NPC1
SCHEMBL11804380 0.72 ELANE (0.49) ELANEMAOBP2RY4P2RY12CTSG
SCHEMBL11510404 0.70 MAPK1 (0.53) MAOBP2RY4MAPK1NPC1ALDH1A1
SCHEMBL11882769 0.70 ELANE (0.62) ELANEMAOBCTSGMAPK1ALDH1A1

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
CN-107075035-B Free radical polymerization process and articles therefrom 3M创新有限公司 2020-08-07 CN disclosed