SCHEMBL28263399

SCHEMBL28263399

CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 4/20 0.46
HTT P42858 3/20 0.46
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 2/20 0.44
PLA2G1B P04054 1/20 0.44
RAD52 P43351 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL75298 1.00 ALDH1A1 (0.55) ALDH1A1KMT2AKDM4ELMNAHTT
SCHEMBL7688059 0.86 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4ELMNAHTT
SCHEMBL2739882 0.86 KMT2A (0.51) ALDH1A1KMT2AKDM4ELMNAHTT
SCHEMBL10075953 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4ELMNAHTT
SCHEMBL147278 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4ELMNAHTT
SCHEMBL5824294 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4ELMNAHTT
SCHEMBL6249956 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4ELMNAHTT
SCHEMBL5824224 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4ELMNAHTT
SCHEMBL28360194 0.83 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4ELMNAHTT
SCHEMBL28007809 0.82 LMNA (0.60) ALDH1A1KMT2AKDM4ELMNAHTT

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-106459554-B Methacrylic resin composition 株式会社可乐丽 2018-12-21 CN disclosed