SCHEMBL28450686

SCHEMBL28450686

C[Si](C)(C)C1(CCC=Cc2ccccc2)CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.38
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR2A P28223 3/20 0.33

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
SCHEMBL27532470 0.77 OPRM1 (0.37) ALDH1A1
SCHEMBL5685184 0.72 MAOA (0.39) MEN1KMT2A
SCHEMBL1694288 0.69 MEN1 (0.36) SIGMAR1MEN1KMT2AMAPTKDM4E
SCHEMBL6432121 0.69 MEN1 (0.36) SIGMAR1MEN1KMT2AMAPTKDM4E
SCHEMBL9251036 0.66 MAPT (0.37) MEN1KMT2AMAPTNPSR1KDM4E
SCHEMBL9311411 0.64 GLA (0.33) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL7568412 0.64 IDO1 (0.56) SIGMAR1ALDH1A1HTR2A
SCHEMBL7939387 0.64 IDO1 (0.56) SIGMAR1ALDH1A1HTR2A
SCHEMBL10430031 0.64 IDO1 (0.56) SIGMAR1ALDH1A1HTR2A
SCHEMBL8383512 0.64 SIGMAR1 (0.49) SIGMAR1MEN1KMT2AKDM4EHTR2A

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-111574966-A Disc-shaped phase change microcapsule and preparation method and application thereof 中国科学院化学研究所 2020-08-25 CN disclosed