SCHEMBL28675576

SCHEMBL28675576

CC(C)(C)C[CH]Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
SLC6A2 P23975 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
PRMT1 Q99873 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ARG2 P78540 1/20 0.38
CALM1 P0DP23 1/20 0.36
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
TRPA1 O75762 1/20 0.34
IDO1 P14902 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LOXL2 Q9Y4K0 1/20 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
SCHEMBL8669945 0.81 SLC6A2 (0.47) MAOBSLC6A2TAAR1CYP2D6CYP1A2
SCHEMBL15111556 0.77 MAOB (0.48) MAOBSLC6A2TAAR1TP53CA1
SCHEMBL74275 0.77 MAOB (0.67) MAOBTAAR1TP53CA1CA2
SCHEMBL185486 0.73 MAOB (0.55) MAOBCYP3A4TP53CA1CA2
SCHEMBL315315 0.71 MAOB (0.52) MAOBSLC6A2TAAR1CYP2D6CYP1A2
SCHEMBL9770101 0.70 LMNA (0.50) MAOBCYP1A2CYP3A4LMNATP53
SCHEMBL135230 0.70 MAOB (0.50) MAOBTP53CA1CA2ARG2
SCHEMBL1005335 0.69 MAOB (0.55) MAOBTAAR1LMNATP53CA1
SCHEMBL7301824 0.69 MAOB (0.55) MAOBTAAR1TP53CA1CA2
SCHEMBL118087 0.69 MAOB (0.55) MAOBTP53CA1CA2ARG2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113880737-B Application of novel persulfate reagent in synthesis of asymmetric polysulfide 安徽农业大学 2023-09-15 CN disclosed
CN-113880737-A Application of novel persulfur reagent in synthesis of asymmetric persulfur 安徽农业大学 2022-01-04 CN disclosed