SCHEMBL28044570

SCHEMBL28044570

COC(=O)Cc1cc2ccccc2oc1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
KMT2A Q03164 2/20 0.64
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 3/20 0.58
MEN1 O00255 1/20 0.57
MMP2 P08253 1/20 0.57
MMP9 P14780 1/20 0.57
ADAM17 P78536 1/20 0.57
MAOB P27338 7/20 0.55
MAOA P21397 4/20 0.55
CYP1A2 P05177 2/20 0.51
LMNA P02545 2/20 0.51
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
NT5E P21589 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ATM Q13315 1/20 0.49

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
SCHEMBL5294261 0.86 ADAM17 (0.69) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL2403666 0.81 RAB9A (0.59) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL8408030 0.80 NPC1 (0.58) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL3131445 0.80 ESR1 (0.52) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL24486991 0.79 KMT2A (0.48) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL1285122 0.78 MAOB (0.56) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL1619109 0.77 MAOB (0.67) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL30594160 0.77 MAOB (0.67) NPC1RAB9AKMT2AKDM4EALDH1A1
Acetic Acid SCHEMBL11097867 0.77 MAOB (0.61) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL28241237 0.76 MMP2 (0.53) NPC1RAB9AKMT2AKDM4EALDH1A1

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-102782159-B Compositions and methods for sequencing nucleic acids INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (CN) 2016-01-20 CN disclosed