SCHEMBL16601904

SCHEMBL16601904

Cc1c(O)n(C(C)C)c(=O)n(C(C)C)c1=O

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.31
POLB P06746 2/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HCRTR1 O43613 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL16601899 0.81 ALDH1A1 (0.35) KDM4EHCRTR1ALDH1A1GAAMAPT
SCHEMBL2757597 0.71 ALDH1A1 (0.33) KDM4EHCRTR1ALDH1A1GAAMAPT
SCHEMBL14231292 0.71 POLB (0.31) POLBHTT
SCHEMBL1318483 0.71 ALDH1A1 (0.42) POLBKDM4EHCRTR1ALDH1A1GAA
SCHEMBL26866749 0.64 KDM4E (0.33) POLBHTTKDM4EHCRTR1ALDH1A1
SCHEMBL2757598 0.62 RAB9A (0.33) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL18512536 0.62 ADORA2B (0.42) HPDKMT2AKDM4EALDH1A1MAPT
SCHEMBL21787983 0.62 ADORA2B (0.41) HPDPOLBKDM4EHCRTR1ALDH1A1
SCHEMBL1244237 0.61 ALDH1A1 (0.31) ALDH1A1
SCHEMBL25061686 0.60 ALDH1A1 (0.44) KDM4EHCRTR1ALDH1A1GAAMAPT

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
US-8993086-B2 Recordable optical recording medium TAIYO YUDEN CO., LTD. (JP) 2015-03-31 US disclosed